USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 852 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 72 LYS NZ :NH3+ 177:sc= -3.76! (180deg=-3.96!) USER MOD Set 1.2: A 79 GLN : amide:sc= -1.65 K(o=-7.1,f=-5.6!) USER MOD Set 1.3: A 93 GLN : amide:sc= -1.65 K(o=-7.1,f=-14!) USER MOD Set 1.4: A 96 GLN : amide:sc=-0.00678 K(o=-7.1,f=-8!) USER MOD Set 2.1: A 46 SER OG : rot -83:sc= 0.129 USER MOD Set 2.2: A 48 GLN : amide:sc= 0.0474 K(o=0.18,f=-2.1!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 11 GLN : amide:sc= -2.24! K(o=-2.2!,f=-0.19) USER MOD Single : A 16 GLN : amide:sc= -2.13 X(o=-2.1,f=-1.8!) USER MOD Single : A 21 THR OG1 : rot -65:sc= 0.224! USER MOD Single : A 25 SER OG : rot 50:sc= -5.29! USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 30 GLN : amide:sc= -0.594 X(o=-0.59,f=-0.69) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -5.69! C(o=-5.7!,f=-5.8!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.865 K(o=-0.87,f=-3.8!) USER MOD Single : A 55 GLN : amide:sc= -26.8! C(o=-27!,f=-33!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= -0.334 USER MOD Single : A 82 SER OG : rot 71:sc= -5.31! USER MOD Single : A 87 THR OG1 : rot 160:sc=-0.00227 USER MOD Single : A 89 GLN : amide:sc= -3.75! K(o=-3.8!,f=-0.59) USER MOD Single : A 92 ASN : amide:sc= -2.36! K(o=-2.4!,f=-1) USER MOD Single : A 100 GLN : amide:sc= -1.61! K(o=-1.6!,f=-0.0019) USER MOD Single : A 101 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.375 -5.938 32.299 1.00 0.00 N ATOM 2 CA GLY A 1 0.109 -7.325 32.552 1.00 0.00 C ATOM 3 C GLY A 1 -0.728 -7.961 33.654 1.00 0.00 C ATOM 4 O GLY A 1 -1.813 -8.484 33.400 1.00 0.00 O ATOM 0 H1 GLY A 1 0.196 -5.503 31.547 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.372 -5.967 32.004 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.287 -5.376 33.169 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.040 -7.918 31.640 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.159 -7.308 32.842 1.00 0.00 H new ATOM 10 N SER A 2 -0.217 -7.913 34.882 1.00 0.00 N ATOM 11 CA SER A 2 -0.929 -8.487 36.017 1.00 0.00 C ATOM 12 C SER A 2 -1.961 -7.503 36.558 1.00 0.00 C ATOM 13 O SER A 2 -2.691 -7.809 37.502 1.00 0.00 O ATOM 14 CB SER A 2 0.061 -8.848 37.125 1.00 0.00 C ATOM 15 OG SER A 2 0.763 -10.030 36.763 1.00 0.00 O ATOM 0 H SER A 2 0.680 -7.486 35.114 1.00 0.00 H new ATOM 0 HA SER A 2 -1.444 -9.387 35.680 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.763 -8.029 37.282 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.468 -9.000 38.066 1.00 0.00 H new ATOM 0 HG SER A 2 1.399 -10.262 37.471 1.00 0.00 H new ATOM 21 N SER A 3 -2.017 -6.324 35.950 1.00 0.00 N ATOM 22 CA SER A 3 -2.965 -5.297 36.370 1.00 0.00 C ATOM 23 C SER A 3 -4.317 -5.509 35.704 1.00 0.00 C ATOM 24 O SER A 3 -4.443 -6.302 34.770 1.00 0.00 O ATOM 25 CB SER A 3 -2.432 -3.911 36.016 1.00 0.00 C ATOM 26 OG SER A 3 -1.342 -3.596 36.872 1.00 0.00 O ATOM 0 H SER A 3 -1.420 -6.055 35.168 1.00 0.00 H new ATOM 0 HA SER A 3 -3.090 -5.370 37.450 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.111 -3.887 34.975 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.221 -3.167 36.123 1.00 0.00 H new ATOM 0 HG SER A 3 -0.996 -2.707 36.647 1.00 0.00 H new ATOM 32 N LEU A 4 -5.327 -4.793 36.188 1.00 0.00 N ATOM 33 CA LEU A 4 -6.667 -4.908 35.626 1.00 0.00 C ATOM 34 C LEU A 4 -6.818 -3.957 34.441 1.00 0.00 C ATOM 35 O LEU A 4 -6.747 -2.738 34.599 1.00 0.00 O ATOM 36 CB LEU A 4 -7.706 -4.575 36.700 1.00 0.00 C ATOM 37 CG LEU A 4 -9.079 -5.109 36.286 1.00 0.00 C ATOM 38 CD1 LEU A 4 -9.481 -4.526 34.931 1.00 0.00 C ATOM 39 CD2 LEU A 4 -9.022 -6.635 36.188 1.00 0.00 C ATOM 0 H LEU A 4 -5.244 -4.133 36.961 1.00 0.00 H new ATOM 0 HA LEU A 4 -6.825 -5.930 35.280 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.409 -5.013 37.653 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.756 -3.496 36.847 1.00 0.00 H new ATOM 0 HG LEU A 4 -9.817 -4.816 37.033 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.459 -4.912 34.645 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -9.526 -3.439 35.001 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.745 -4.811 34.179 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.999 -7.017 35.893 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.280 -6.924 35.444 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.746 -7.052 37.157 1.00 0.00 H new ATOM 51 N SER A 5 -7.023 -4.524 33.256 1.00 0.00 N ATOM 52 CA SER A 5 -7.178 -3.723 32.047 1.00 0.00 C ATOM 53 C SER A 5 -7.792 -4.560 30.929 1.00 0.00 C ATOM 54 O SER A 5 -7.100 -5.357 30.296 1.00 0.00 O ATOM 55 CB SER A 5 -5.814 -3.201 31.591 1.00 0.00 C ATOM 56 OG SER A 5 -5.962 -1.883 31.086 1.00 0.00 O ATOM 0 H SER A 5 -7.085 -5.531 33.108 1.00 0.00 H new ATOM 0 HA SER A 5 -7.838 -2.885 32.271 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.112 -3.207 32.425 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.401 -3.853 30.822 1.00 0.00 H new ATOM 0 HG SER A 5 -5.090 -1.545 30.794 1.00 0.00 H new ATOM 62 N PRO A 6 -9.065 -4.405 30.671 1.00 0.00 N ATOM 63 CA PRO A 6 -9.751 -5.175 29.601 1.00 0.00 C ATOM 64 C PRO A 6 -9.252 -4.785 28.209 1.00 0.00 C ATOM 65 O PRO A 6 -10.032 -4.373 27.351 1.00 0.00 O ATOM 66 CB PRO A 6 -11.241 -4.848 29.761 1.00 0.00 C ATOM 67 CG PRO A 6 -11.373 -3.900 30.914 1.00 0.00 C ATOM 68 CD PRO A 6 -9.972 -3.485 31.365 1.00 0.00 C ATOM 0 HA PRO A 6 -9.552 -6.243 29.694 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -11.635 -4.400 28.849 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -11.815 -5.756 29.944 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -11.951 -3.024 30.620 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -11.910 -4.375 31.735 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -9.762 -2.449 31.100 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -9.865 -3.566 32.447 1.00 0.00 H new ATOM 76 N GLN A 7 -7.947 -4.923 27.991 1.00 0.00 N ATOM 77 CA GLN A 7 -7.363 -4.585 26.698 1.00 0.00 C ATOM 78 C GLN A 7 -7.416 -5.783 25.756 1.00 0.00 C ATOM 79 O GLN A 7 -7.044 -6.896 26.123 1.00 0.00 O ATOM 80 CB GLN A 7 -5.910 -4.135 26.870 1.00 0.00 C ATOM 81 CG GLN A 7 -5.869 -2.795 27.609 1.00 0.00 C ATOM 82 CD GLN A 7 -4.425 -2.328 27.761 1.00 0.00 C ATOM 83 OE1 GLN A 7 -3.520 -3.149 27.916 1.00 0.00 O ATOM 84 NE2 GLN A 7 -4.150 -1.052 27.716 1.00 0.00 N ATOM 0 H GLN A 7 -7.281 -5.263 28.685 1.00 0.00 H new ATOM 0 HA GLN A 7 -7.943 -3.769 26.268 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -5.350 -4.886 27.427 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -5.431 -4.039 25.896 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -6.445 -2.050 27.060 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -6.332 -2.897 28.590 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -4.900 -0.373 27.588 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -3.185 -0.735 27.809 1.00 0.00 H new ATOM 93 N ALA A 8 -7.882 -5.537 24.537 1.00 0.00 N ATOM 94 CA ALA A 8 -7.986 -6.590 23.533 1.00 0.00 C ATOM 95 C ALA A 8 -8.177 -5.971 22.154 1.00 0.00 C ATOM 96 O ALA A 8 -8.883 -6.516 21.307 1.00 0.00 O ATOM 97 CB ALA A 8 -9.165 -7.509 23.853 1.00 0.00 C ATOM 0 H ALA A 8 -8.194 -4.619 24.220 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.067 -7.177 23.541 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.233 -8.291 23.097 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.017 -7.963 24.833 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.088 -6.929 23.858 1.00 0.00 H new ATOM 103 N LEU A 9 -7.547 -4.821 21.947 1.00 0.00 N ATOM 104 CA LEU A 9 -7.648 -4.114 20.677 1.00 0.00 C ATOM 105 C LEU A 9 -6.633 -4.648 19.671 1.00 0.00 C ATOM 106 O LEU A 9 -5.478 -4.903 20.014 1.00 0.00 O ATOM 107 CB LEU A 9 -7.400 -2.624 20.904 1.00 0.00 C ATOM 108 CG LEU A 9 -6.000 -2.436 21.502 1.00 0.00 C ATOM 109 CD1 LEU A 9 -5.004 -2.084 20.393 1.00 0.00 C ATOM 110 CD2 LEU A 9 -6.025 -1.308 22.537 1.00 0.00 C ATOM 0 H LEU A 9 -6.961 -4.359 22.642 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.649 -4.270 20.274 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.483 -2.081 19.963 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.154 -2.215 21.576 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.693 -3.364 21.984 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.012 -1.952 20.824 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.977 -2.890 19.659 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.314 -1.160 19.905 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.028 -1.179 22.959 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.339 -0.381 22.057 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.726 -1.560 23.333 1.00 0.00 H new ATOM 122 N ALA A 10 -7.071 -4.808 18.426 1.00 0.00 N ATOM 123 CA ALA A 10 -6.194 -5.306 17.371 1.00 0.00 C ATOM 124 C ALA A 10 -5.089 -4.294 17.081 1.00 0.00 C ATOM 125 O ALA A 10 -5.236 -3.105 17.364 1.00 0.00 O ATOM 126 CB ALA A 10 -6.999 -5.573 16.099 1.00 0.00 C ATOM 0 H ALA A 10 -8.023 -4.601 18.124 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.741 -6.238 17.707 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.334 -5.944 15.319 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.768 -6.317 16.305 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.469 -4.648 15.765 1.00 0.00 H new ATOM 132 N GLN A 11 -3.981 -4.772 16.524 1.00 0.00 N ATOM 133 CA GLN A 11 -2.856 -3.893 16.213 1.00 0.00 C ATOM 134 C GLN A 11 -3.089 -3.185 14.879 1.00 0.00 C ATOM 135 O GLN A 11 -3.908 -3.629 14.076 1.00 0.00 O ATOM 136 CB GLN A 11 -1.561 -4.708 16.126 1.00 0.00 C ATOM 137 CG GLN A 11 -1.472 -5.685 17.301 1.00 0.00 C ATOM 138 CD GLN A 11 -0.595 -6.881 16.934 1.00 0.00 C ATOM 139 OE1 GLN A 11 -0.362 -7.755 17.767 1.00 0.00 O ATOM 140 NE2 GLN A 11 -0.089 -6.972 15.734 1.00 0.00 N ATOM 0 H GLN A 11 -3.837 -5.752 16.280 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.770 -3.151 17.007 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.530 -5.256 15.184 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.700 -4.039 16.134 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.060 -5.178 18.173 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.470 -6.028 17.574 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.282 -6.247 15.043 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.499 -7.768 15.488 1.00 0.00 H new ATOM 149 N PRO A 12 -2.384 -2.109 14.611 1.00 0.00 N ATOM 150 CA PRO A 12 -2.534 -1.369 13.328 1.00 0.00 C ATOM 151 C PRO A 12 -1.925 -2.148 12.166 1.00 0.00 C ATOM 152 O PRO A 12 -1.074 -3.015 12.370 1.00 0.00 O ATOM 153 CB PRO A 12 -1.794 -0.043 13.541 1.00 0.00 C ATOM 154 CG PRO A 12 -1.247 -0.060 14.936 1.00 0.00 C ATOM 155 CD PRO A 12 -1.374 -1.483 15.477 1.00 0.00 C ATOM 0 HA PRO A 12 -3.583 -1.216 13.073 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.990 0.070 12.814 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.470 0.801 13.403 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.204 0.257 14.940 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.795 0.638 15.569 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.423 -2.014 15.428 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.688 -1.486 16.521 1.00 0.00 H new ATOM 163 N LEU A 13 -2.355 -1.836 10.950 1.00 0.00 N ATOM 164 CA LEU A 13 -1.834 -2.519 9.776 1.00 0.00 C ATOM 165 C LEU A 13 -0.490 -1.922 9.389 1.00 0.00 C ATOM 166 O LEU A 13 -0.353 -0.704 9.280 1.00 0.00 O ATOM 167 CB LEU A 13 -2.820 -2.366 8.617 1.00 0.00 C ATOM 168 CG LEU A 13 -2.512 -3.383 7.522 1.00 0.00 C ATOM 169 CD1 LEU A 13 -3.600 -3.299 6.457 1.00 0.00 C ATOM 170 CD2 LEU A 13 -1.160 -3.066 6.884 1.00 0.00 C ATOM 0 H LEU A 13 -3.056 -1.122 10.753 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.703 -3.577 10.002 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.839 -2.506 8.977 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.761 -1.356 8.212 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.479 -4.384 7.951 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.393 -4.021 5.667 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.568 -3.521 6.907 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.619 -2.294 6.034 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.946 -3.796 6.103 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.188 -2.067 6.449 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.380 -3.109 7.644 1.00 0.00 H new ATOM 182 N LEU A 14 0.503 -2.781 9.182 1.00 0.00 N ATOM 183 CA LEU A 14 1.822 -2.314 8.810 1.00 0.00 C ATOM 184 C LEU A 14 1.996 -2.388 7.293 1.00 0.00 C ATOM 185 O LEU A 14 1.962 -3.467 6.699 1.00 0.00 O ATOM 186 CB LEU A 14 2.864 -3.166 9.527 1.00 0.00 C ATOM 187 CG LEU A 14 2.518 -3.209 11.017 1.00 0.00 C ATOM 188 CD1 LEU A 14 3.672 -3.831 11.807 1.00 0.00 C ATOM 189 CD2 LEU A 14 2.251 -1.788 11.518 1.00 0.00 C ATOM 0 H LEU A 14 0.415 -3.794 9.266 1.00 0.00 H new ATOM 0 HA LEU A 14 1.950 -1.273 9.107 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.878 -4.174 9.113 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.860 -2.747 9.382 1.00 0.00 H new ATOM 0 HG LEU A 14 1.626 -3.818 11.161 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.416 -3.857 12.866 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.851 -4.846 11.452 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.573 -3.234 11.666 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.004 -1.817 12.579 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.141 -1.176 11.369 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.417 -1.357 10.963 1.00 0.00 H new ATOM 201 N LEU A 15 2.154 -1.222 6.677 1.00 0.00 N ATOM 202 CA LEU A 15 2.300 -1.131 5.227 1.00 0.00 C ATOM 203 C LEU A 15 3.584 -0.377 4.871 1.00 0.00 C ATOM 204 O LEU A 15 3.876 0.666 5.458 1.00 0.00 O ATOM 205 CB LEU A 15 1.068 -0.393 4.675 1.00 0.00 C ATOM 206 CG LEU A 15 0.918 -0.611 3.168 1.00 0.00 C ATOM 207 CD1 LEU A 15 2.096 0.033 2.441 1.00 0.00 C ATOM 208 CD2 LEU A 15 0.869 -2.113 2.864 1.00 0.00 C ATOM 0 H LEU A 15 2.184 -0.324 7.160 1.00 0.00 H new ATOM 0 HA LEU A 15 2.368 -2.126 4.788 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.172 -0.744 5.186 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.157 0.673 4.883 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.009 -0.151 2.824 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.990 -0.122 1.367 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.114 1.102 2.653 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.026 -0.421 2.783 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.762 -2.263 1.790 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.791 -2.584 3.206 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.019 -2.561 3.379 1.00 0.00 H new ATOM 220 N GLN A 16 4.356 -0.906 3.917 1.00 0.00 N ATOM 221 CA GLN A 16 5.607 -0.253 3.523 1.00 0.00 C ATOM 222 C GLN A 16 5.698 -0.060 2.014 1.00 0.00 C ATOM 223 O GLN A 16 5.035 -0.754 1.243 1.00 0.00 O ATOM 224 CB GLN A 16 6.809 -1.071 3.996 1.00 0.00 C ATOM 225 CG GLN A 16 6.926 -0.969 5.513 1.00 0.00 C ATOM 226 CD GLN A 16 8.186 -1.684 5.989 1.00 0.00 C ATOM 227 OE1 GLN A 16 9.152 -1.039 6.395 1.00 0.00 O ATOM 228 NE2 GLN A 16 8.238 -2.988 5.954 1.00 0.00 N ATOM 0 H GLN A 16 4.143 -1.767 3.413 1.00 0.00 H new ATOM 0 HA GLN A 16 5.616 0.729 3.996 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.693 -2.113 3.698 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.721 -0.704 3.524 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.957 0.078 5.814 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.048 -1.410 5.984 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.437 -3.522 5.617 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.080 -3.473 6.263 1.00 0.00 H new ATOM 237 N LEU A 17 6.531 0.894 1.605 1.00 0.00 N ATOM 238 CA LEU A 17 6.715 1.185 0.188 1.00 0.00 C ATOM 239 C LEU A 17 8.193 1.392 -0.143 1.00 0.00 C ATOM 240 O LEU A 17 8.891 2.155 0.526 1.00 0.00 O ATOM 241 CB LEU A 17 5.914 2.434 -0.190 1.00 0.00 C ATOM 242 CG LEU A 17 6.059 2.718 -1.688 1.00 0.00 C ATOM 243 CD1 LEU A 17 5.062 1.859 -2.464 1.00 0.00 C ATOM 244 CD2 LEU A 17 5.771 4.196 -1.959 1.00 0.00 C ATOM 0 H LEU A 17 7.086 1.476 2.232 1.00 0.00 H new ATOM 0 HA LEU A 17 6.355 0.333 -0.388 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.863 2.291 0.061 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.266 3.290 0.386 1.00 0.00 H new ATOM 0 HG LEU A 17 7.074 2.481 -2.006 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.163 2.059 -3.531 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.263 0.805 -2.272 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.048 2.099 -2.144 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.874 4.397 -3.025 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.755 4.433 -1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.478 4.812 -1.403 1.00 0.00 H new ATOM 256 N PHE A 18 8.656 0.711 -1.191 1.00 0.00 N ATOM 257 CA PHE A 18 10.048 0.826 -1.622 1.00 0.00 C ATOM 258 C PHE A 18 10.165 1.866 -2.731 1.00 0.00 C ATOM 259 O PHE A 18 9.509 1.753 -3.767 1.00 0.00 O ATOM 260 CB PHE A 18 10.541 -0.526 -2.149 1.00 0.00 C ATOM 261 CG PHE A 18 10.716 -1.501 -1.010 1.00 0.00 C ATOM 262 CD1 PHE A 18 9.640 -2.295 -0.592 1.00 0.00 C ATOM 263 CD2 PHE A 18 11.960 -1.623 -0.380 1.00 0.00 C ATOM 264 CE1 PHE A 18 9.810 -3.209 0.457 1.00 0.00 C ATOM 265 CE2 PHE A 18 12.130 -2.536 0.668 1.00 0.00 C ATOM 266 CZ PHE A 18 11.055 -3.328 1.087 1.00 0.00 C ATOM 0 H PHE A 18 8.090 0.077 -1.755 1.00 0.00 H new ATOM 0 HA PHE A 18 10.656 1.132 -0.770 1.00 0.00 H new ATOM 0 HB2 PHE A 18 9.828 -0.924 -2.871 1.00 0.00 H new ATOM 0 HB3 PHE A 18 11.487 -0.396 -2.674 1.00 0.00 H new ATOM 0 HD1 PHE A 18 8.680 -2.203 -1.078 1.00 0.00 H new ATOM 0 HD2 PHE A 18 12.790 -1.012 -0.703 1.00 0.00 H new ATOM 0 HE1 PHE A 18 8.981 -3.821 0.779 1.00 0.00 H new ATOM 0 HE2 PHE A 18 13.091 -2.629 1.153 1.00 0.00 H new ATOM 0 HZ PHE A 18 11.186 -4.031 1.896 1.00 0.00 H new ATOM 276 N VAL A 19 10.993 2.884 -2.513 1.00 0.00 N ATOM 277 CA VAL A 19 11.159 3.933 -3.514 1.00 0.00 C ATOM 278 C VAL A 19 12.622 4.337 -3.671 1.00 0.00 C ATOM 279 O VAL A 19 13.411 4.242 -2.731 1.00 0.00 O ATOM 280 CB VAL A 19 10.346 5.161 -3.111 1.00 0.00 C ATOM 281 CG1 VAL A 19 8.980 4.718 -2.583 1.00 0.00 C ATOM 282 CG2 VAL A 19 11.094 5.927 -2.016 1.00 0.00 C ATOM 0 H VAL A 19 11.551 3.004 -1.667 1.00 0.00 H new ATOM 0 HA VAL A 19 10.807 3.539 -4.467 1.00 0.00 H new ATOM 0 HB VAL A 19 10.207 5.807 -3.978 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.399 5.594 -2.295 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.449 4.171 -3.362 1.00 0.00 H new ATOM 0 HG13 VAL A 19 9.117 4.073 -1.715 1.00 0.00 H new ATOM 0 HG21 VAL A 19 10.516 6.804 -1.726 1.00 0.00 H new ATOM 0 HG22 VAL A 19 11.232 5.281 -1.149 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.067 6.242 -2.392 1.00 0.00 H new ATOM 292 N ASP A 20 12.962 4.816 -4.863 1.00 0.00 N ATOM 293 CA ASP A 20 14.318 5.272 -5.142 1.00 0.00 C ATOM 294 C ASP A 20 14.371 6.796 -5.070 1.00 0.00 C ATOM 295 O ASP A 20 15.313 7.420 -5.554 1.00 0.00 O ATOM 296 CB ASP A 20 14.768 4.805 -6.527 1.00 0.00 C ATOM 297 CG ASP A 20 13.941 5.498 -7.600 1.00 0.00 C ATOM 298 OD1 ASP A 20 13.186 6.391 -7.251 1.00 0.00 O ATOM 299 OD2 ASP A 20 14.071 5.125 -8.755 1.00 0.00 O ATOM 0 H ASP A 20 12.318 4.898 -5.650 1.00 0.00 H new ATOM 0 HA ASP A 20 14.990 4.847 -4.396 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.825 5.028 -6.670 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.656 3.724 -6.610 1.00 0.00 H new ATOM 304 N THR A 21 13.337 7.380 -4.463 1.00 0.00 N ATOM 305 CA THR A 21 13.236 8.833 -4.319 1.00 0.00 C ATOM 306 C THR A 21 12.787 9.501 -5.621 1.00 0.00 C ATOM 307 O THR A 21 12.836 10.724 -5.742 1.00 0.00 O ATOM 308 CB THR A 21 14.582 9.421 -3.884 1.00 0.00 C ATOM 309 OG1 THR A 21 15.436 9.544 -5.015 1.00 0.00 O ATOM 310 CG2 THR A 21 15.231 8.504 -2.846 1.00 0.00 C ATOM 0 H THR A 21 12.553 6.866 -4.061 1.00 0.00 H new ATOM 0 HA THR A 21 12.484 9.031 -3.555 1.00 0.00 H new ATOM 0 HB THR A 21 14.422 10.406 -3.444 1.00 0.00 H new ATOM 0 HG1 THR A 21 15.641 8.653 -5.369 1.00 0.00 H new ATOM 0 HG21 THR A 21 16.188 8.924 -2.538 1.00 0.00 H new ATOM 0 HG22 THR A 21 14.577 8.416 -1.978 1.00 0.00 H new ATOM 0 HG23 THR A 21 15.391 7.517 -3.281 1.00 0.00 H new ATOM 318 N ARG A 22 12.335 8.702 -6.587 1.00 0.00 N ATOM 319 CA ARG A 22 11.867 9.254 -7.859 1.00 0.00 C ATOM 320 C ARG A 22 10.500 9.918 -7.680 1.00 0.00 C ATOM 321 O ARG A 22 9.679 9.459 -6.886 1.00 0.00 O ATOM 322 CB ARG A 22 11.776 8.151 -8.916 1.00 0.00 C ATOM 323 CG ARG A 22 10.683 7.152 -8.526 1.00 0.00 C ATOM 324 CD ARG A 22 10.922 5.826 -9.246 1.00 0.00 C ATOM 325 NE ARG A 22 10.467 5.916 -10.628 1.00 0.00 N ATOM 326 CZ ARG A 22 11.000 5.156 -11.578 1.00 0.00 C ATOM 327 NH1 ARG A 22 12.126 5.508 -12.138 1.00 0.00 N ATOM 328 NH2 ARG A 22 10.400 4.059 -11.951 1.00 0.00 N ATOM 0 H ARG A 22 12.283 7.686 -6.516 1.00 0.00 H new ATOM 0 HA ARG A 22 12.583 10.005 -8.193 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.554 8.585 -9.891 1.00 0.00 H new ATOM 0 HB3 ARG A 22 12.734 7.640 -9.006 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.685 6.997 -7.447 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.702 7.549 -8.789 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.982 5.575 -9.220 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.392 5.024 -8.732 1.00 0.00 H new ATOM 0 HE ARG A 22 9.726 6.574 -10.870 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.595 6.365 -11.846 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.537 4.925 -12.868 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.521 3.784 -11.513 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.810 3.476 -12.681 1.00 0.00 H new ATOM 342 N PRO A 23 10.253 10.994 -8.384 1.00 0.00 N ATOM 343 CA PRO A 23 8.968 11.746 -8.285 1.00 0.00 C ATOM 344 C PRO A 23 7.748 10.846 -8.461 1.00 0.00 C ATOM 345 O PRO A 23 6.758 10.984 -7.746 1.00 0.00 O ATOM 346 CB PRO A 23 9.017 12.771 -9.425 1.00 0.00 C ATOM 347 CG PRO A 23 10.299 12.557 -10.163 1.00 0.00 C ATOM 348 CD PRO A 23 11.173 11.609 -9.341 1.00 0.00 C ATOM 0 HA PRO A 23 8.868 12.200 -7.299 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.164 12.644 -10.092 1.00 0.00 H new ATOM 0 HB3 PRO A 23 8.966 13.786 -9.031 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.104 12.135 -11.149 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.811 13.507 -10.319 1.00 0.00 H new ATOM 0 HD2 PRO A 23 11.647 10.858 -9.973 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.972 12.148 -8.832 1.00 0.00 H new ATOM 356 N LEU A 24 7.819 9.934 -9.426 1.00 0.00 N ATOM 357 CA LEU A 24 6.700 9.036 -9.687 1.00 0.00 C ATOM 358 C LEU A 24 6.308 8.291 -8.412 1.00 0.00 C ATOM 359 O LEU A 24 5.125 8.145 -8.108 1.00 0.00 O ATOM 360 CB LEU A 24 7.079 8.028 -10.772 1.00 0.00 C ATOM 361 CG LEU A 24 5.851 7.202 -11.152 1.00 0.00 C ATOM 362 CD1 LEU A 24 5.006 7.973 -12.166 1.00 0.00 C ATOM 363 CD2 LEU A 24 6.300 5.878 -11.769 1.00 0.00 C ATOM 0 H LEU A 24 8.628 9.798 -10.032 1.00 0.00 H new ATOM 0 HA LEU A 24 5.852 9.630 -10.027 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.465 8.549 -11.648 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.874 7.374 -10.414 1.00 0.00 H new ATOM 0 HG LEU A 24 5.257 7.007 -10.259 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.131 7.381 -12.435 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.684 8.918 -11.728 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.599 8.170 -13.059 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.425 5.288 -12.041 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.895 6.075 -12.660 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.901 5.325 -11.047 1.00 0.00 H new ATOM 375 N SER A 25 7.310 7.835 -7.663 1.00 0.00 N ATOM 376 CA SER A 25 7.052 7.122 -6.418 1.00 0.00 C ATOM 377 C SER A 25 6.362 8.052 -5.432 1.00 0.00 C ATOM 378 O SER A 25 5.371 7.681 -4.804 1.00 0.00 O ATOM 379 CB SER A 25 8.363 6.610 -5.823 1.00 0.00 C ATOM 380 OG SER A 25 8.099 5.996 -4.568 1.00 0.00 O ATOM 0 H SER A 25 8.297 7.946 -7.895 1.00 0.00 H new ATOM 0 HA SER A 25 6.405 6.269 -6.623 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.829 5.894 -6.501 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.066 7.434 -5.698 1.00 0.00 H new ATOM 0 HG SER A 25 7.364 5.355 -4.665 1.00 0.00 H new ATOM 386 N GLN A 26 6.869 9.279 -5.330 1.00 0.00 N ATOM 387 CA GLN A 26 6.260 10.263 -4.449 1.00 0.00 C ATOM 388 C GLN A 26 4.859 10.551 -4.960 1.00 0.00 C ATOM 389 O GLN A 26 3.929 10.801 -4.192 1.00 0.00 O ATOM 390 CB GLN A 26 7.098 11.543 -4.425 1.00 0.00 C ATOM 391 CG GLN A 26 8.437 11.251 -3.746 1.00 0.00 C ATOM 392 CD GLN A 26 9.294 12.510 -3.694 1.00 0.00 C ATOM 393 OE1 GLN A 26 8.986 13.503 -4.354 1.00 0.00 O ATOM 394 NE2 GLN A 26 10.361 12.528 -2.943 1.00 0.00 N ATOM 0 H GLN A 26 7.688 9.609 -5.840 1.00 0.00 H new ATOM 0 HA GLN A 26 6.212 9.879 -3.430 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.262 11.904 -5.440 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.568 12.330 -3.888 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.266 10.878 -2.736 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.964 10.467 -4.290 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.614 11.704 -2.397 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.942 13.366 -2.902 1.00 0.00 H new ATOM 403 N HIS A 27 4.732 10.478 -6.277 1.00 0.00 N ATOM 404 CA HIS A 27 3.463 10.689 -6.950 1.00 0.00 C ATOM 405 C HIS A 27 2.497 9.587 -6.522 1.00 0.00 C ATOM 406 O HIS A 27 1.386 9.840 -6.040 1.00 0.00 O ATOM 407 CB HIS A 27 3.721 10.601 -8.453 1.00 0.00 C ATOM 408 CG HIS A 27 2.813 11.516 -9.215 1.00 0.00 C ATOM 409 ND1 HIS A 27 1.494 11.740 -8.856 1.00 0.00 N ATOM 410 CD2 HIS A 27 3.036 12.268 -10.338 1.00 0.00 C ATOM 411 CE1 HIS A 27 0.975 12.601 -9.753 1.00 0.00 C ATOM 412 NE2 HIS A 27 1.875 12.955 -10.680 1.00 0.00 N ATOM 0 H HIS A 27 5.507 10.271 -6.907 1.00 0.00 H new ATOM 0 HA HIS A 27 3.033 11.658 -6.698 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.759 10.859 -8.662 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.573 9.575 -8.790 1.00 0.00 H new ATOM 0 HD2 HIS A 27 3.971 12.320 -10.876 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -0.043 12.962 -9.728 1.00 0.00 H new ATOM 0 HE2 HIS A 27 1.739 13.590 -11.466 1.00 0.00 H new ATOM 420 N ILE A 28 2.964 8.351 -6.681 1.00 0.00 N ATOM 421 CA ILE A 28 2.190 7.182 -6.301 1.00 0.00 C ATOM 422 C ILE A 28 1.967 7.165 -4.795 1.00 0.00 C ATOM 423 O ILE A 28 0.928 6.712 -4.314 1.00 0.00 O ATOM 424 CB ILE A 28 2.930 5.914 -6.730 1.00 0.00 C ATOM 425 CG1 ILE A 28 3.024 5.871 -8.255 1.00 0.00 C ATOM 426 CG2 ILE A 28 2.174 4.683 -6.230 1.00 0.00 C ATOM 427 CD1 ILE A 28 3.899 4.689 -8.677 1.00 0.00 C ATOM 0 H ILE A 28 3.881 8.137 -7.073 1.00 0.00 H new ATOM 0 HA ILE A 28 1.221 7.221 -6.799 1.00 0.00 H new ATOM 0 HB ILE A 28 3.933 5.919 -6.303 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.029 5.774 -8.689 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.446 6.803 -8.631 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.704 3.781 -6.537 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.109 4.713 -5.142 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.170 4.676 -6.653 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.967 4.657 -9.764 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.897 4.806 -8.254 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.457 3.761 -8.313 1.00 0.00 H new ATOM 439 N VAL A 29 2.950 7.666 -4.052 1.00 0.00 N ATOM 440 CA VAL A 29 2.841 7.702 -2.601 1.00 0.00 C ATOM 441 C VAL A 29 1.586 8.456 -2.194 1.00 0.00 C ATOM 442 O VAL A 29 0.827 7.993 -1.341 1.00 0.00 O ATOM 443 CB VAL A 29 4.077 8.365 -1.992 1.00 0.00 C ATOM 444 CG1 VAL A 29 3.808 8.693 -0.523 1.00 0.00 C ATOM 445 CG2 VAL A 29 5.263 7.401 -2.084 1.00 0.00 C ATOM 0 H VAL A 29 3.819 8.047 -4.426 1.00 0.00 H new ATOM 0 HA VAL A 29 2.776 6.680 -2.227 1.00 0.00 H new ATOM 0 HB VAL A 29 4.304 9.282 -2.535 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.689 9.166 -0.089 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.959 9.373 -0.452 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.584 7.775 0.020 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.147 7.869 -1.651 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.032 6.487 -1.537 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.456 7.160 -3.129 1.00 0.00 H new ATOM 455 N GLN A 30 1.347 9.601 -2.823 1.00 0.00 N ATOM 456 CA GLN A 30 0.148 10.368 -2.517 1.00 0.00 C ATOM 457 C GLN A 30 -1.067 9.514 -2.815 1.00 0.00 C ATOM 458 O GLN A 30 -2.012 9.462 -2.030 1.00 0.00 O ATOM 459 CB GLN A 30 0.081 11.649 -3.350 1.00 0.00 C ATOM 460 CG GLN A 30 1.214 12.588 -2.945 1.00 0.00 C ATOM 461 CD GLN A 30 1.202 12.806 -1.436 1.00 0.00 C ATOM 462 OE1 GLN A 30 1.977 12.180 -0.712 1.00 0.00 O ATOM 463 NE2 GLN A 30 0.359 13.654 -0.913 1.00 0.00 N ATOM 0 H GLN A 30 1.954 10.011 -3.533 1.00 0.00 H new ATOM 0 HA GLN A 30 0.173 10.648 -1.464 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.157 11.409 -4.410 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.881 12.140 -3.202 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.172 12.168 -3.252 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.106 13.543 -3.459 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.282 14.172 -1.514 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.342 13.799 0.097 1.00 0.00 H new ATOM 472 N ARG A 31 -1.026 8.824 -3.949 1.00 0.00 N ATOM 473 CA ARG A 31 -2.132 7.959 -4.319 1.00 0.00 C ATOM 474 C ARG A 31 -2.278 6.845 -3.293 1.00 0.00 C ATOM 475 O ARG A 31 -3.385 6.499 -2.891 1.00 0.00 O ATOM 476 CB ARG A 31 -1.899 7.362 -5.704 1.00 0.00 C ATOM 477 CG ARG A 31 -1.898 8.488 -6.736 1.00 0.00 C ATOM 478 CD ARG A 31 -1.919 7.892 -8.140 1.00 0.00 C ATOM 479 NE ARG A 31 -0.798 6.979 -8.323 1.00 0.00 N ATOM 480 CZ ARG A 31 -0.303 6.738 -9.532 1.00 0.00 C ATOM 481 NH1 ARG A 31 0.659 7.482 -10.001 1.00 0.00 N ATOM 482 NH2 ARG A 31 -0.784 5.762 -10.250 1.00 0.00 N ATOM 0 H ARG A 31 -0.253 8.847 -4.615 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.048 8.549 -4.343 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.949 6.827 -5.729 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.679 6.637 -5.938 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.766 9.131 -6.589 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.014 9.112 -6.608 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.858 7.362 -8.303 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.871 8.690 -8.881 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.387 6.518 -7.511 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.031 8.248 -9.440 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.040 7.298 -10.929 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.540 5.184 -9.883 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.404 5.577 -11.178 1.00 0.00 H new ATOM 496 N VAL A 32 -1.148 6.299 -2.859 1.00 0.00 N ATOM 497 CA VAL A 32 -1.170 5.241 -1.861 1.00 0.00 C ATOM 498 C VAL A 32 -1.711 5.792 -0.545 1.00 0.00 C ATOM 499 O VAL A 32 -2.635 5.235 0.044 1.00 0.00 O ATOM 500 CB VAL A 32 0.245 4.687 -1.660 1.00 0.00 C ATOM 501 CG1 VAL A 32 0.251 3.671 -0.513 1.00 0.00 C ATOM 502 CG2 VAL A 32 0.707 3.998 -2.947 1.00 0.00 C ATOM 0 H VAL A 32 -0.217 6.568 -3.178 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.818 4.434 -2.202 1.00 0.00 H new ATOM 0 HB VAL A 32 0.919 5.508 -1.416 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.260 3.282 -0.377 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.078 4.157 0.406 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.425 2.850 -0.751 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.713 3.603 -2.807 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.026 3.181 -3.187 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.711 4.719 -3.765 1.00 0.00 H new ATOM 512 N LYS A 33 -1.129 6.901 -0.100 1.00 0.00 N ATOM 513 CA LYS A 33 -1.553 7.539 1.136 1.00 0.00 C ATOM 514 C LYS A 33 -2.998 8.022 1.051 1.00 0.00 C ATOM 515 O LYS A 33 -3.765 7.882 2.004 1.00 0.00 O ATOM 516 CB LYS A 33 -0.643 8.724 1.438 1.00 0.00 C ATOM 517 CG LYS A 33 0.741 8.214 1.837 1.00 0.00 C ATOM 518 CD LYS A 33 1.598 9.395 2.289 1.00 0.00 C ATOM 519 CE LYS A 33 2.964 8.887 2.755 1.00 0.00 C ATOM 520 NZ LYS A 33 2.863 8.439 4.173 1.00 0.00 N ATOM 0 H LYS A 33 -0.363 7.375 -0.579 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.487 6.800 1.934 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.566 9.370 0.563 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.066 9.326 2.242 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.655 7.483 2.641 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.212 7.708 0.995 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.722 10.103 1.469 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.101 9.929 3.099 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.293 8.062 2.123 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.710 9.677 2.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.789 8.093 4.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.566 9.238 4.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.163 7.673 4.246 1.00 0.00 H new ATOM 534 N ASN A 34 -3.358 8.609 -0.085 1.00 0.00 N ATOM 535 CA ASN A 34 -4.704 9.131 -0.271 1.00 0.00 C ATOM 536 C ASN A 34 -5.748 8.017 -0.204 1.00 0.00 C ATOM 537 O ASN A 34 -6.787 8.166 0.439 1.00 0.00 O ATOM 538 CB ASN A 34 -4.783 9.840 -1.622 1.00 0.00 C ATOM 539 CG ASN A 34 -3.836 11.038 -1.630 1.00 0.00 C ATOM 540 OD1 ASN A 34 -3.519 11.583 -0.572 1.00 0.00 O ATOM 541 ND2 ASN A 34 -3.359 11.480 -2.763 1.00 0.00 N ATOM 0 H ASN A 34 -2.739 8.734 -0.886 1.00 0.00 H new ATOM 0 HA ASN A 34 -4.918 9.835 0.533 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.518 9.149 -2.422 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -5.804 10.170 -1.811 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.723 12.277 -2.772 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -3.622 11.028 -3.638 1.00 0.00 H new ATOM 548 N ILE A 35 -5.468 6.904 -0.872 1.00 0.00 N ATOM 549 CA ILE A 35 -6.397 5.774 -0.881 1.00 0.00 C ATOM 550 C ILE A 35 -6.470 5.100 0.486 1.00 0.00 C ATOM 551 O ILE A 35 -7.556 4.901 1.031 1.00 0.00 O ATOM 552 CB ILE A 35 -5.949 4.750 -1.917 1.00 0.00 C ATOM 553 CG1 ILE A 35 -6.023 5.370 -3.314 1.00 0.00 C ATOM 554 CG2 ILE A 35 -6.859 3.521 -1.850 1.00 0.00 C ATOM 555 CD1 ILE A 35 -5.339 4.445 -4.322 1.00 0.00 C ATOM 0 H ILE A 35 -4.614 6.757 -1.411 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.386 6.157 -1.131 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.922 4.449 -1.709 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.063 5.528 -3.598 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.540 6.347 -3.315 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.538 2.789 -2.591 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.801 3.079 -0.855 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.887 3.818 -2.056 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.392 4.888 -5.317 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.295 4.309 -4.041 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.842 3.478 -4.328 1.00 0.00 H new ATOM 567 N LEU A 36 -5.310 4.745 1.031 1.00 0.00 N ATOM 568 CA LEU A 36 -5.264 4.089 2.332 1.00 0.00 C ATOM 569 C LEU A 36 -5.838 4.999 3.408 1.00 0.00 C ATOM 570 O LEU A 36 -6.604 4.561 4.264 1.00 0.00 O ATOM 571 CB LEU A 36 -3.820 3.723 2.676 1.00 0.00 C ATOM 572 CG LEU A 36 -3.278 2.759 1.620 1.00 0.00 C ATOM 573 CD1 LEU A 36 -1.843 2.373 1.973 1.00 0.00 C ATOM 574 CD2 LEU A 36 -4.150 1.502 1.582 1.00 0.00 C ATOM 0 H LEU A 36 -4.400 4.899 0.597 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.865 3.181 2.287 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.204 4.622 2.715 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.775 3.263 3.663 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.295 3.242 0.643 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.456 1.686 1.221 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.222 3.268 2.001 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.826 1.889 2.950 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.764 0.814 0.829 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.133 1.018 2.558 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.174 1.777 1.331 1.00 0.00 H new ATOM 586 N ALA A 37 -5.476 6.273 3.345 1.00 0.00 N ATOM 587 CA ALA A 37 -5.974 7.244 4.306 1.00 0.00 C ATOM 588 C ALA A 37 -7.454 7.495 4.063 1.00 0.00 C ATOM 589 O ALA A 37 -8.144 8.068 4.906 1.00 0.00 O ATOM 590 CB ALA A 37 -5.195 8.555 4.182 1.00 0.00 C ATOM 0 H ALA A 37 -4.843 6.655 2.643 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.838 6.849 5.313 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -5.576 9.275 4.906 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.138 8.370 4.376 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.314 8.955 3.175 1.00 0.00 H new ATOM 596 N ALA A 38 -7.933 7.066 2.897 1.00 0.00 N ATOM 597 CA ALA A 38 -9.336 7.258 2.553 1.00 0.00 C ATOM 598 C ALA A 38 -10.195 6.142 3.138 1.00 0.00 C ATOM 599 O ALA A 38 -11.422 6.229 3.143 1.00 0.00 O ATOM 600 CB ALA A 38 -9.505 7.292 1.032 1.00 0.00 C ATOM 0 H ALA A 38 -7.378 6.590 2.185 1.00 0.00 H new ATOM 0 HA ALA A 38 -9.663 8.208 2.975 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.557 7.436 0.786 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.920 8.114 0.619 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.158 6.350 0.606 1.00 0.00 H new ATOM 606 N VAL A 39 -9.541 5.093 3.623 1.00 0.00 N ATOM 607 CA VAL A 39 -10.256 3.963 4.204 1.00 0.00 C ATOM 608 C VAL A 39 -10.514 4.191 5.692 1.00 0.00 C ATOM 609 O VAL A 39 -11.331 3.501 6.297 1.00 0.00 O ATOM 610 CB VAL A 39 -9.443 2.684 4.012 1.00 0.00 C ATOM 611 CG1 VAL A 39 -8.402 2.573 5.127 1.00 0.00 C ATOM 612 CG2 VAL A 39 -10.378 1.473 4.062 1.00 0.00 C ATOM 0 H VAL A 39 -8.525 5.001 3.626 1.00 0.00 H new ATOM 0 HA VAL A 39 -11.216 3.865 3.698 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.940 2.713 3.046 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.820 1.661 4.992 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.737 3.436 5.091 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.906 2.543 6.093 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -9.799 0.560 3.925 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -10.881 1.442 5.028 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -11.121 1.554 3.268 1.00 0.00 H new ATOM 622 N GLU A 40 -9.813 5.165 6.266 1.00 0.00 N ATOM 623 CA GLU A 40 -9.967 5.489 7.683 1.00 0.00 C ATOM 624 C GLU A 40 -10.274 4.237 8.504 1.00 0.00 C ATOM 625 O GLU A 40 -9.384 3.660 9.127 1.00 0.00 O ATOM 626 CB GLU A 40 -11.085 6.516 7.864 1.00 0.00 C ATOM 627 CG GLU A 40 -10.714 7.799 7.118 1.00 0.00 C ATOM 628 CD GLU A 40 -9.412 8.368 7.676 1.00 0.00 C ATOM 629 OE1 GLU A 40 -9.059 8.009 8.788 1.00 0.00 O ATOM 630 OE2 GLU A 40 -8.789 9.155 6.983 1.00 0.00 O ATOM 0 H GLU A 40 -9.133 5.744 5.773 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.027 5.909 8.040 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.026 6.118 7.483 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.234 6.727 8.923 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.604 7.592 6.054 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.514 8.533 7.219 1.00 0.00 H new ATOM 637 N ALA A 41 -11.538 3.826 8.499 1.00 0.00 N ATOM 638 CA ALA A 41 -11.953 2.642 9.246 1.00 0.00 C ATOM 639 C ALA A 41 -11.383 2.664 10.662 1.00 0.00 C ATOM 640 O ALA A 41 -10.615 3.558 11.020 1.00 0.00 O ATOM 641 CB ALA A 41 -11.482 1.380 8.520 1.00 0.00 C ATOM 0 H ALA A 41 -12.289 4.291 7.990 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.041 2.641 9.312 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.794 0.499 9.081 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.921 1.349 7.523 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.395 1.392 8.438 1.00 0.00 H new ATOM 647 N THR A 42 -11.771 1.677 11.465 1.00 0.00 N ATOM 648 CA THR A 42 -11.300 1.592 12.845 1.00 0.00 C ATOM 649 C THR A 42 -9.900 0.997 12.901 1.00 0.00 C ATOM 650 O THR A 42 -9.266 0.975 13.956 1.00 0.00 O ATOM 651 CB THR A 42 -12.254 0.726 13.669 1.00 0.00 C ATOM 652 OG1 THR A 42 -12.208 -0.610 13.191 1.00 0.00 O ATOM 653 CG2 THR A 42 -13.677 1.268 13.540 1.00 0.00 C ATOM 0 H THR A 42 -12.406 0.929 11.187 1.00 0.00 H new ATOM 0 HA THR A 42 -11.270 2.600 13.259 1.00 0.00 H new ATOM 0 HB THR A 42 -11.954 0.748 14.717 1.00 0.00 H new ATOM 0 HG1 THR A 42 -12.817 -1.167 13.719 1.00 0.00 H new ATOM 0 HG21 THR A 42 -14.356 0.650 14.127 1.00 0.00 H new ATOM 0 HG22 THR A 42 -13.710 2.294 13.907 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.981 1.247 12.493 1.00 0.00 H new ATOM 661 N VAL A 43 -9.423 0.512 11.762 1.00 0.00 N ATOM 662 CA VAL A 43 -8.103 -0.083 11.691 1.00 0.00 C ATOM 663 C VAL A 43 -7.225 0.694 10.719 1.00 0.00 C ATOM 664 O VAL A 43 -7.086 0.318 9.555 1.00 0.00 O ATOM 665 CB VAL A 43 -8.222 -1.531 11.225 1.00 0.00 C ATOM 666 CG1 VAL A 43 -8.646 -2.417 12.399 1.00 0.00 C ATOM 667 CG2 VAL A 43 -9.265 -1.624 10.112 1.00 0.00 C ATOM 0 H VAL A 43 -9.932 0.521 10.878 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.647 -0.052 12.681 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.257 -1.870 10.848 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.730 -3.451 12.063 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.900 -2.353 13.191 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.610 -2.080 12.780 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.350 -2.658 9.779 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.230 -1.283 10.488 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.960 -0.997 9.274 1.00 0.00 H new ATOM 677 N PRO A 44 -6.640 1.765 11.176 1.00 0.00 N ATOM 678 CA PRO A 44 -5.760 2.615 10.335 1.00 0.00 C ATOM 679 C PRO A 44 -4.498 1.877 9.907 1.00 0.00 C ATOM 680 O PRO A 44 -3.969 1.048 10.646 1.00 0.00 O ATOM 681 CB PRO A 44 -5.413 3.826 11.208 1.00 0.00 C ATOM 682 CG PRO A 44 -6.103 3.648 12.525 1.00 0.00 C ATOM 683 CD PRO A 44 -6.756 2.264 12.550 1.00 0.00 C ATOM 0 HA PRO A 44 -6.260 2.904 9.410 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.335 3.901 11.348 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.737 4.749 10.728 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.389 3.744 13.343 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.855 4.424 12.666 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -6.252 1.602 13.254 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.799 2.325 12.861 1.00 0.00 H new ATOM 691 N ILE A 45 -4.021 2.185 8.708 1.00 0.00 N ATOM 692 CA ILE A 45 -2.820 1.546 8.189 1.00 0.00 C ATOM 693 C ILE A 45 -1.637 2.505 8.256 1.00 0.00 C ATOM 694 O ILE A 45 -1.764 3.682 7.920 1.00 0.00 O ATOM 695 CB ILE A 45 -3.041 1.118 6.739 1.00 0.00 C ATOM 696 CG1 ILE A 45 -4.309 0.262 6.646 1.00 0.00 C ATOM 697 CG2 ILE A 45 -1.834 0.301 6.265 1.00 0.00 C ATOM 698 CD1 ILE A 45 -5.266 0.876 5.620 1.00 0.00 C ATOM 0 H ILE A 45 -4.444 2.869 8.081 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.605 0.669 8.800 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.155 2.000 6.109 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.052 -0.757 6.355 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.793 0.203 7.621 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.987 -0.007 5.231 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.933 0.910 6.333 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.723 -0.582 6.894 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.168 0.267 5.554 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.532 1.887 5.930 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.780 0.912 4.645 1.00 0.00 H new ATOM 710 N SER A 46 -0.484 1.998 8.683 1.00 0.00 N ATOM 711 CA SER A 46 0.705 2.835 8.773 1.00 0.00 C ATOM 712 C SER A 46 1.591 2.608 7.556 1.00 0.00 C ATOM 713 O SER A 46 1.918 1.471 7.216 1.00 0.00 O ATOM 714 CB SER A 46 1.487 2.510 10.045 1.00 0.00 C ATOM 715 OG SER A 46 2.581 3.411 10.167 1.00 0.00 O ATOM 0 H SER A 46 -0.349 1.028 8.968 1.00 0.00 H new ATOM 0 HA SER A 46 0.395 3.880 8.805 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.836 2.590 10.916 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.849 1.483 10.011 1.00 0.00 H new ATOM 0 HG SER A 46 3.331 3.090 9.625 1.00 0.00 H new ATOM 721 N LEU A 47 1.962 3.696 6.893 1.00 0.00 N ATOM 722 CA LEU A 47 2.795 3.598 5.706 1.00 0.00 C ATOM 723 C LEU A 47 4.236 3.980 6.022 1.00 0.00 C ATOM 724 O LEU A 47 4.500 5.051 6.567 1.00 0.00 O ATOM 725 CB LEU A 47 2.252 4.532 4.622 1.00 0.00 C ATOM 726 CG LEU A 47 2.521 3.945 3.231 1.00 0.00 C ATOM 727 CD1 LEU A 47 2.276 5.021 2.173 1.00 0.00 C ATOM 728 CD2 LEU A 47 3.969 3.461 3.128 1.00 0.00 C ATOM 0 H LEU A 47 1.701 4.647 7.155 1.00 0.00 H new ATOM 0 HA LEU A 47 2.775 2.566 5.355 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.181 4.678 4.762 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.722 5.512 4.708 1.00 0.00 H new ATOM 0 HG LEU A 47 1.851 3.100 3.069 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.466 4.607 1.183 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.242 5.360 2.232 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.945 5.863 2.349 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.145 3.047 2.135 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.646 4.299 3.297 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.150 2.692 3.879 1.00 0.00 H new ATOM 740 N GLN A 48 5.164 3.108 5.651 1.00 0.00 N ATOM 741 CA GLN A 48 6.578 3.373 5.873 1.00 0.00 C ATOM 742 C GLN A 48 7.320 3.273 4.545 1.00 0.00 C ATOM 743 O GLN A 48 7.129 2.323 3.788 1.00 0.00 O ATOM 744 CB GLN A 48 7.164 2.376 6.876 1.00 0.00 C ATOM 745 CG GLN A 48 7.662 3.118 8.118 1.00 0.00 C ATOM 746 CD GLN A 48 6.480 3.518 8.994 1.00 0.00 C ATOM 747 OE1 GLN A 48 5.360 3.062 8.770 1.00 0.00 O ATOM 748 NE2 GLN A 48 6.666 4.345 9.987 1.00 0.00 N ATOM 0 H GLN A 48 4.964 2.216 5.198 1.00 0.00 H new ATOM 0 HA GLN A 48 6.692 4.376 6.284 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.408 1.644 7.158 1.00 0.00 H new ATOM 0 HB3 GLN A 48 7.985 1.825 6.417 1.00 0.00 H new ATOM 0 HG2 GLN A 48 8.345 2.483 8.682 1.00 0.00 H new ATOM 0 HG3 GLN A 48 8.223 4.005 7.822 1.00 0.00 H new ATOM 0 HE21 GLN A 48 7.596 4.721 10.170 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.881 4.615 10.580 1.00 0.00 H new ATOM 757 N VAL A 49 8.156 4.258 4.265 1.00 0.00 N ATOM 758 CA VAL A 49 8.906 4.265 3.015 1.00 0.00 C ATOM 759 C VAL A 49 10.315 3.749 3.228 1.00 0.00 C ATOM 760 O VAL A 49 10.989 4.112 4.191 1.00 0.00 O ATOM 761 CB VAL A 49 8.991 5.673 2.431 1.00 0.00 C ATOM 762 CG1 VAL A 49 9.519 5.588 0.996 1.00 0.00 C ATOM 763 CG2 VAL A 49 7.603 6.320 2.439 1.00 0.00 C ATOM 0 H VAL A 49 8.333 5.055 4.876 1.00 0.00 H new ATOM 0 HA VAL A 49 8.375 3.614 2.321 1.00 0.00 H new ATOM 0 HB VAL A 49 9.667 6.281 3.032 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.583 6.590 0.572 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.509 5.132 0.999 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.842 4.982 0.394 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.668 7.325 2.022 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.919 5.721 1.838 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.233 6.376 3.463 1.00 0.00 H new ATOM 773 N ILE A 50 10.759 2.913 2.306 1.00 0.00 N ATOM 774 CA ILE A 50 12.095 2.360 2.379 1.00 0.00 C ATOM 775 C ILE A 50 12.892 2.800 1.162 1.00 0.00 C ATOM 776 O ILE A 50 12.457 2.614 0.025 1.00 0.00 O ATOM 777 CB ILE A 50 12.017 0.839 2.429 1.00 0.00 C ATOM 778 CG1 ILE A 50 11.054 0.430 3.546 1.00 0.00 C ATOM 779 CG2 ILE A 50 13.404 0.263 2.709 1.00 0.00 C ATOM 780 CD1 ILE A 50 11.177 -1.072 3.806 1.00 0.00 C ATOM 0 H ILE A 50 10.214 2.604 1.501 1.00 0.00 H new ATOM 0 HA ILE A 50 12.590 2.720 3.281 1.00 0.00 H new ATOM 0 HB ILE A 50 11.659 0.455 1.474 1.00 0.00 H new ATOM 0 HG12 ILE A 50 11.279 0.986 4.456 1.00 0.00 H new ATOM 0 HG13 ILE A 50 10.030 0.678 3.266 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.346 -0.825 2.744 1.00 0.00 H new ATOM 0 HG22 ILE A 50 14.090 0.564 1.917 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.767 0.638 3.666 1.00 0.00 H new ATOM 0 HD11 ILE A 50 10.490 -1.361 4.602 1.00 0.00 H new ATOM 0 HD12 ILE A 50 10.930 -1.620 2.897 1.00 0.00 H new ATOM 0 HD13 ILE A 50 12.198 -1.307 4.105 1.00 0.00 H new ATOM 792 N ASN A 51 14.055 3.387 1.401 1.00 0.00 N ATOM 793 CA ASN A 51 14.887 3.847 0.304 1.00 0.00 C ATOM 794 C ASN A 51 15.723 2.683 -0.226 1.00 0.00 C ATOM 795 O ASN A 51 16.732 2.312 0.374 1.00 0.00 O ATOM 796 CB ASN A 51 15.808 4.969 0.784 1.00 0.00 C ATOM 797 CG ASN A 51 15.861 6.086 -0.252 1.00 0.00 C ATOM 798 OD1 ASN A 51 15.925 5.822 -1.452 1.00 0.00 O ATOM 799 ND2 ASN A 51 15.836 7.329 0.146 1.00 0.00 N ATOM 0 H ASN A 51 14.438 3.554 2.331 1.00 0.00 H new ATOM 0 HA ASN A 51 14.250 4.228 -0.494 1.00 0.00 H new ATOM 0 HB2 ASN A 51 15.449 5.362 1.735 1.00 0.00 H new ATOM 0 HB3 ASN A 51 16.810 4.577 0.959 1.00 0.00 H new ATOM 0 HD21 ASN A 51 15.870 8.084 -0.539 1.00 0.00 H new ATOM 0 HD22 ASN A 51 15.783 7.545 1.142 1.00 0.00 H new ATOM 806 N VAL A 52 15.287 2.095 -1.334 1.00 0.00 N ATOM 807 CA VAL A 52 15.995 0.952 -1.914 1.00 0.00 C ATOM 808 C VAL A 52 17.445 1.297 -2.229 1.00 0.00 C ATOM 809 O VAL A 52 18.309 0.421 -2.252 1.00 0.00 O ATOM 810 CB VAL A 52 15.296 0.499 -3.197 1.00 0.00 C ATOM 811 CG1 VAL A 52 13.840 0.155 -2.889 1.00 0.00 C ATOM 812 CG2 VAL A 52 15.348 1.625 -4.233 1.00 0.00 C ATOM 0 H VAL A 52 14.455 2.385 -1.847 1.00 0.00 H new ATOM 0 HA VAL A 52 15.982 0.147 -1.179 1.00 0.00 H new ATOM 0 HB VAL A 52 15.801 -0.382 -3.594 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.341 -0.168 -3.803 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.804 -0.648 -2.153 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.335 1.035 -2.491 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.850 1.302 -5.147 1.00 0.00 H new ATOM 0 HG22 VAL A 52 14.844 2.507 -3.837 1.00 0.00 H new ATOM 0 HG23 VAL A 52 16.387 1.869 -4.453 1.00 0.00 H new ATOM 822 N ALA A 53 17.707 2.573 -2.481 1.00 0.00 N ATOM 823 CA ALA A 53 19.055 3.015 -2.803 1.00 0.00 C ATOM 824 C ALA A 53 19.938 3.027 -1.564 1.00 0.00 C ATOM 825 O ALA A 53 21.163 3.072 -1.671 1.00 0.00 O ATOM 826 CB ALA A 53 19.012 4.417 -3.412 1.00 0.00 C ATOM 0 H ALA A 53 17.008 3.315 -2.469 1.00 0.00 H new ATOM 0 HA ALA A 53 19.478 2.314 -3.523 1.00 0.00 H new ATOM 0 HB1 ALA A 53 20.025 4.741 -3.651 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.413 4.400 -4.322 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.568 5.110 -2.698 1.00 0.00 H new ATOM 832 N ASP A 54 19.322 2.999 -0.385 1.00 0.00 N ATOM 833 CA ASP A 54 20.089 3.019 0.843 1.00 0.00 C ATOM 834 C ASP A 54 20.179 1.629 1.450 1.00 0.00 C ATOM 835 O ASP A 54 21.142 1.306 2.145 1.00 0.00 O ATOM 836 CB ASP A 54 19.445 3.969 1.852 1.00 0.00 C ATOM 837 CG ASP A 54 19.441 5.391 1.302 1.00 0.00 C ATOM 838 OD1 ASP A 54 20.143 5.631 0.332 1.00 0.00 O ATOM 839 OD2 ASP A 54 18.737 6.218 1.856 1.00 0.00 O ATOM 0 H ASP A 54 18.310 2.963 -0.261 1.00 0.00 H new ATOM 0 HA ASP A 54 21.095 3.365 0.604 1.00 0.00 H new ATOM 0 HB2 ASP A 54 18.425 3.650 2.064 1.00 0.00 H new ATOM 0 HB3 ASP A 54 19.992 3.937 2.794 1.00 0.00 H new ATOM 844 N GLN A 55 19.157 0.815 1.210 1.00 0.00 N ATOM 845 CA GLN A 55 19.137 -0.522 1.774 1.00 0.00 C ATOM 846 C GLN A 55 18.548 -1.550 0.805 1.00 0.00 C ATOM 847 O GLN A 55 17.434 -2.033 0.988 1.00 0.00 O ATOM 848 CB GLN A 55 18.339 -0.494 3.075 1.00 0.00 C ATOM 849 CG GLN A 55 17.070 0.347 2.900 1.00 0.00 C ATOM 850 CD GLN A 55 16.053 -0.401 2.053 1.00 0.00 C ATOM 851 OE1 GLN A 55 15.747 -1.557 2.329 1.00 0.00 O ATOM 852 NE2 GLN A 55 15.511 0.191 1.028 1.00 0.00 N ATOM 0 H GLN A 55 18.347 1.055 0.639 1.00 0.00 H new ATOM 0 HA GLN A 55 20.164 -0.830 1.969 1.00 0.00 H new ATOM 0 HB2 GLN A 55 18.073 -1.509 3.369 1.00 0.00 H new ATOM 0 HB3 GLN A 55 18.951 -0.080 3.876 1.00 0.00 H new ATOM 0 HG2 GLN A 55 16.641 0.578 3.875 1.00 0.00 H new ATOM 0 HG3 GLN A 55 17.318 1.298 2.428 1.00 0.00 H new ATOM 0 HE21 GLN A 55 15.766 1.152 0.800 1.00 0.00 H new ATOM 0 HE22 GLN A 55 14.831 -0.306 0.453 1.00 0.00 H new ATOM 861 N PRO A 56 19.292 -1.910 -0.198 1.00 0.00 N ATOM 862 CA PRO A 56 18.859 -2.920 -1.204 1.00 0.00 C ATOM 863 C PRO A 56 18.856 -4.329 -0.614 1.00 0.00 C ATOM 864 O PRO A 56 18.492 -5.303 -1.278 1.00 0.00 O ATOM 865 CB PRO A 56 19.892 -2.814 -2.331 1.00 0.00 C ATOM 866 CG PRO A 56 20.872 -1.746 -1.943 1.00 0.00 C ATOM 867 CD PRO A 56 20.634 -1.398 -0.476 1.00 0.00 C ATOM 0 HA PRO A 56 17.842 -2.735 -1.549 1.00 0.00 H new ATOM 0 HB2 PRO A 56 20.401 -3.767 -2.476 1.00 0.00 H new ATOM 0 HB3 PRO A 56 19.406 -2.565 -3.274 1.00 0.00 H new ATOM 0 HG2 PRO A 56 21.894 -2.095 -2.091 1.00 0.00 H new ATOM 0 HG3 PRO A 56 20.742 -0.864 -2.570 1.00 0.00 H new ATOM 0 HD2 PRO A 56 21.379 -1.863 0.169 1.00 0.00 H new ATOM 0 HD3 PRO A 56 20.693 -0.323 -0.307 1.00 0.00 H new ATOM 875 N GLN A 57 19.299 -4.421 0.632 1.00 0.00 N ATOM 876 CA GLN A 57 19.398 -5.705 1.321 1.00 0.00 C ATOM 877 C GLN A 57 18.035 -6.323 1.620 1.00 0.00 C ATOM 878 O GLN A 57 17.756 -7.439 1.182 1.00 0.00 O ATOM 879 CB GLN A 57 20.158 -5.507 2.634 1.00 0.00 C ATOM 880 CG GLN A 57 20.059 -6.771 3.490 1.00 0.00 C ATOM 881 CD GLN A 57 20.814 -6.570 4.799 1.00 0.00 C ATOM 882 OE1 GLN A 57 20.342 -5.857 5.684 1.00 0.00 O ATOM 883 NE2 GLN A 57 21.966 -7.156 4.974 1.00 0.00 N ATOM 0 H GLN A 57 19.597 -3.621 1.190 1.00 0.00 H new ATOM 0 HA GLN A 57 19.926 -6.391 0.659 1.00 0.00 H new ATOM 0 HB2 GLN A 57 21.204 -5.278 2.428 1.00 0.00 H new ATOM 0 HB3 GLN A 57 19.747 -4.656 3.177 1.00 0.00 H new ATOM 0 HG2 GLN A 57 19.013 -7.001 3.695 1.00 0.00 H new ATOM 0 HG3 GLN A 57 20.473 -7.621 2.948 1.00 0.00 H new ATOM 0 HE21 GLN A 57 22.355 -7.746 4.239 1.00 0.00 H new ATOM 0 HE22 GLN A 57 22.478 -7.024 5.846 1.00 0.00 H new ATOM 892 N LEU A 58 17.185 -5.622 2.367 1.00 0.00 N ATOM 893 CA LEU A 58 15.881 -6.176 2.689 1.00 0.00 C ATOM 894 C LEU A 58 15.009 -6.228 1.441 1.00 0.00 C ATOM 895 O LEU A 58 14.074 -7.024 1.358 1.00 0.00 O ATOM 896 CB LEU A 58 15.207 -5.389 3.810 1.00 0.00 C ATOM 897 CG LEU A 58 15.291 -3.893 3.533 1.00 0.00 C ATOM 898 CD1 LEU A 58 13.884 -3.310 3.588 1.00 0.00 C ATOM 899 CD2 LEU A 58 16.161 -3.222 4.601 1.00 0.00 C ATOM 0 H LEU A 58 17.371 -4.695 2.750 1.00 0.00 H new ATOM 0 HA LEU A 58 16.019 -7.195 3.051 1.00 0.00 H new ATOM 0 HB2 LEU A 58 14.163 -5.691 3.898 1.00 0.00 H new ATOM 0 HB3 LEU A 58 15.686 -5.617 4.762 1.00 0.00 H new ATOM 0 HG LEU A 58 15.732 -3.720 2.551 1.00 0.00 H new ATOM 0 HD11 LEU A 58 13.926 -2.239 3.392 1.00 0.00 H new ATOM 0 HD12 LEU A 58 13.261 -3.793 2.835 1.00 0.00 H new ATOM 0 HD13 LEU A 58 13.458 -3.481 4.576 1.00 0.00 H new ATOM 0 HD21 LEU A 58 16.221 -2.152 4.402 1.00 0.00 H new ATOM 0 HD22 LEU A 58 15.720 -3.384 5.584 1.00 0.00 H new ATOM 0 HD23 LEU A 58 17.162 -3.652 4.577 1.00 0.00 H new ATOM 911 N VAL A 59 15.342 -5.404 0.454 1.00 0.00 N ATOM 912 CA VAL A 59 14.598 -5.410 -0.798 1.00 0.00 C ATOM 913 C VAL A 59 14.715 -6.804 -1.407 1.00 0.00 C ATOM 914 O VAL A 59 13.729 -7.392 -1.845 1.00 0.00 O ATOM 915 CB VAL A 59 15.183 -4.369 -1.755 1.00 0.00 C ATOM 916 CG1 VAL A 59 14.306 -4.273 -3.001 1.00 0.00 C ATOM 917 CG2 VAL A 59 15.230 -3.006 -1.058 1.00 0.00 C ATOM 0 H VAL A 59 16.110 -4.734 0.495 1.00 0.00 H new ATOM 0 HA VAL A 59 13.551 -5.163 -0.620 1.00 0.00 H new ATOM 0 HB VAL A 59 16.192 -4.666 -2.043 1.00 0.00 H new ATOM 0 HG11 VAL A 59 14.722 -3.532 -3.683 1.00 0.00 H new ATOM 0 HG12 VAL A 59 14.271 -5.243 -3.497 1.00 0.00 H new ATOM 0 HG13 VAL A 59 13.297 -3.976 -2.714 1.00 0.00 H new ATOM 0 HG21 VAL A 59 15.647 -2.263 -1.739 1.00 0.00 H new ATOM 0 HG22 VAL A 59 14.221 -2.709 -0.771 1.00 0.00 H new ATOM 0 HG23 VAL A 59 15.856 -3.074 -0.168 1.00 0.00 H new ATOM 927 N GLU A 60 15.934 -7.341 -1.392 1.00 0.00 N ATOM 928 CA GLU A 60 16.176 -8.685 -1.910 1.00 0.00 C ATOM 929 C GLU A 60 15.517 -9.722 -1.002 1.00 0.00 C ATOM 930 O GLU A 60 15.057 -10.766 -1.463 1.00 0.00 O ATOM 931 CB GLU A 60 17.679 -8.951 -1.985 1.00 0.00 C ATOM 932 CG GLU A 60 18.320 -8.000 -2.996 1.00 0.00 C ATOM 933 CD GLU A 60 19.810 -8.303 -3.119 1.00 0.00 C ATOM 934 OE1 GLU A 60 20.261 -9.229 -2.467 1.00 0.00 O ATOM 935 OE2 GLU A 60 20.475 -7.609 -3.869 1.00 0.00 O ATOM 0 H GLU A 60 16.763 -6.870 -1.030 1.00 0.00 H new ATOM 0 HA GLU A 60 15.747 -8.760 -2.909 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.132 -8.813 -1.003 1.00 0.00 H new ATOM 0 HB3 GLU A 60 17.861 -9.985 -2.278 1.00 0.00 H new ATOM 0 HG2 GLU A 60 17.837 -8.107 -3.967 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.175 -6.967 -2.680 1.00 0.00 H new ATOM 942 N TYR A 61 15.471 -9.421 0.297 1.00 0.00 N ATOM 943 CA TYR A 61 14.861 -10.329 1.264 1.00 0.00 C ATOM 944 C TYR A 61 13.438 -10.655 0.831 1.00 0.00 C ATOM 945 O TYR A 61 12.997 -11.802 0.907 1.00 0.00 O ATOM 946 CB TYR A 61 14.848 -9.676 2.651 1.00 0.00 C ATOM 947 CG TYR A 61 14.308 -10.646 3.675 1.00 0.00 C ATOM 948 CD1 TYR A 61 15.155 -11.601 4.251 1.00 0.00 C ATOM 949 CD2 TYR A 61 12.962 -10.583 4.055 1.00 0.00 C ATOM 950 CE1 TYR A 61 14.655 -12.492 5.208 1.00 0.00 C ATOM 951 CE2 TYR A 61 12.462 -11.475 5.010 1.00 0.00 C ATOM 952 CZ TYR A 61 13.309 -12.429 5.586 1.00 0.00 C ATOM 953 OH TYR A 61 12.816 -13.305 6.531 1.00 0.00 O ATOM 0 H TYR A 61 15.846 -8.562 0.699 1.00 0.00 H new ATOM 0 HA TYR A 61 15.441 -11.250 1.310 1.00 0.00 H new ATOM 0 HB2 TYR A 61 15.857 -9.368 2.926 1.00 0.00 H new ATOM 0 HB3 TYR A 61 14.234 -8.776 2.632 1.00 0.00 H new ATOM 0 HD1 TYR A 61 16.193 -11.650 3.957 1.00 0.00 H new ATOM 0 HD2 TYR A 61 12.310 -9.846 3.611 1.00 0.00 H new ATOM 0 HE1 TYR A 61 15.308 -13.228 5.654 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.423 -11.427 5.302 1.00 0.00 H new ATOM 0 HH TYR A 61 11.864 -13.125 6.679 1.00 0.00 H new ATOM 963 N TYR A 62 12.737 -9.636 0.357 1.00 0.00 N ATOM 964 CA TYR A 62 11.374 -9.802 -0.116 1.00 0.00 C ATOM 965 C TYR A 62 11.387 -10.232 -1.576 1.00 0.00 C ATOM 966 O TYR A 62 10.368 -10.158 -2.262 1.00 0.00 O ATOM 967 CB TYR A 62 10.631 -8.473 0.000 1.00 0.00 C ATOM 968 CG TYR A 62 10.454 -8.100 1.448 1.00 0.00 C ATOM 969 CD1 TYR A 62 9.579 -8.827 2.259 1.00 0.00 C ATOM 970 CD2 TYR A 62 11.165 -7.019 1.974 1.00 0.00 C ATOM 971 CE1 TYR A 62 9.415 -8.473 3.602 1.00 0.00 C ATOM 972 CE2 TYR A 62 11.004 -6.662 3.316 1.00 0.00 C ATOM 973 CZ TYR A 62 10.128 -7.390 4.131 1.00 0.00 C ATOM 974 OH TYR A 62 9.969 -7.041 5.456 1.00 0.00 O ATOM 0 H TYR A 62 13.093 -8.682 0.290 1.00 0.00 H new ATOM 0 HA TYR A 62 10.876 -10.561 0.487 1.00 0.00 H new ATOM 0 HB2 TYR A 62 11.186 -7.691 -0.519 1.00 0.00 H new ATOM 0 HB3 TYR A 62 9.658 -8.549 -0.485 1.00 0.00 H new ATOM 0 HD1 TYR A 62 9.030 -9.662 1.849 1.00 0.00 H new ATOM 0 HD2 TYR A 62 11.840 -6.459 1.344 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.739 -9.034 4.230 1.00 0.00 H new ATOM 0 HE2 TYR A 62 11.554 -5.827 3.723 1.00 0.00 H new ATOM 0 HH TYR A 62 10.537 -6.269 5.661 1.00 0.00 H new ATOM 984 N ARG A 63 12.555 -10.643 -2.056 1.00 0.00 N ATOM 985 CA ARG A 63 12.691 -11.037 -3.450 1.00 0.00 C ATOM 986 C ARG A 63 12.345 -9.842 -4.323 1.00 0.00 C ATOM 987 O ARG A 63 12.305 -9.929 -5.549 1.00 0.00 O ATOM 988 CB ARG A 63 11.766 -12.211 -3.777 1.00 0.00 C ATOM 989 CG ARG A 63 12.281 -13.474 -3.084 1.00 0.00 C ATOM 990 CD ARG A 63 12.600 -14.539 -4.136 1.00 0.00 C ATOM 991 NE ARG A 63 13.583 -14.031 -5.087 1.00 0.00 N ATOM 992 CZ ARG A 63 14.739 -13.518 -4.674 1.00 0.00 C ATOM 993 NH1 ARG A 63 15.152 -13.738 -3.457 1.00 0.00 N ATOM 994 NH2 ARG A 63 15.460 -12.797 -5.489 1.00 0.00 N ATOM 0 H ARG A 63 13.412 -10.711 -1.507 1.00 0.00 H new ATOM 0 HA ARG A 63 13.716 -11.358 -3.638 1.00 0.00 H new ATOM 0 HB2 ARG A 63 10.751 -11.991 -3.447 1.00 0.00 H new ATOM 0 HB3 ARG A 63 11.725 -12.366 -4.855 1.00 0.00 H new ATOM 0 HG2 ARG A 63 13.173 -13.244 -2.502 1.00 0.00 H new ATOM 0 HG3 ARG A 63 11.533 -13.850 -2.386 1.00 0.00 H new ATOM 0 HD2 ARG A 63 12.983 -15.436 -3.651 1.00 0.00 H new ATOM 0 HD3 ARG A 63 11.689 -14.825 -4.662 1.00 0.00 H new ATOM 0 HE ARG A 63 13.380 -14.070 -6.086 1.00 0.00 H new ATOM 0 HH11 ARG A 63 14.589 -14.303 -2.822 1.00 0.00 H new ATOM 0 HH12 ARG A 63 16.038 -13.345 -3.140 1.00 0.00 H new ATOM 0 HH21 ARG A 63 15.137 -12.627 -6.442 1.00 0.00 H new ATOM 0 HH22 ARG A 63 16.346 -12.403 -5.173 1.00 0.00 H new ATOM 1008 N LEU A 64 12.101 -8.722 -3.652 1.00 0.00 N ATOM 1009 CA LEU A 64 11.763 -7.477 -4.321 1.00 0.00 C ATOM 1010 C LEU A 64 12.939 -7.023 -5.184 1.00 0.00 C ATOM 1011 O LEU A 64 14.079 -7.000 -4.723 1.00 0.00 O ATOM 1012 CB LEU A 64 11.441 -6.426 -3.248 1.00 0.00 C ATOM 1013 CG LEU A 64 10.629 -5.278 -3.833 1.00 0.00 C ATOM 1014 CD1 LEU A 64 11.453 -4.563 -4.894 1.00 0.00 C ATOM 1015 CD2 LEU A 64 9.344 -5.825 -4.452 1.00 0.00 C ATOM 0 H LEU A 64 12.132 -8.654 -2.635 1.00 0.00 H new ATOM 0 HA LEU A 64 10.898 -7.613 -4.969 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.885 -6.891 -2.434 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.367 -6.041 -2.822 1.00 0.00 H new ATOM 0 HG LEU A 64 10.372 -4.572 -3.043 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.872 -3.741 -5.313 1.00 0.00 H new ATOM 0 HD12 LEU A 64 12.365 -4.170 -4.443 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.713 -5.265 -5.687 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.763 -5.003 -4.871 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.594 -6.533 -5.243 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.757 -6.330 -3.685 1.00 0.00 H new ATOM 1027 N VAL A 65 12.668 -6.688 -6.442 1.00 0.00 N ATOM 1028 CA VAL A 65 13.736 -6.261 -7.344 1.00 0.00 C ATOM 1029 C VAL A 65 13.289 -5.106 -8.241 1.00 0.00 C ATOM 1030 O VAL A 65 14.103 -4.526 -8.960 1.00 0.00 O ATOM 1031 CB VAL A 65 14.186 -7.438 -8.220 1.00 0.00 C ATOM 1032 CG1 VAL A 65 15.607 -7.193 -8.747 1.00 0.00 C ATOM 1033 CG2 VAL A 65 14.166 -8.729 -7.397 1.00 0.00 C ATOM 0 H VAL A 65 11.736 -6.703 -6.856 1.00 0.00 H new ATOM 0 HA VAL A 65 14.567 -5.915 -6.729 1.00 0.00 H new ATOM 0 HB VAL A 65 13.503 -7.530 -9.064 1.00 0.00 H new ATOM 0 HG11 VAL A 65 15.915 -8.035 -9.367 1.00 0.00 H new ATOM 0 HG12 VAL A 65 15.622 -6.280 -9.342 1.00 0.00 H new ATOM 0 HG13 VAL A 65 16.294 -7.090 -7.907 1.00 0.00 H new ATOM 0 HG21 VAL A 65 14.486 -9.563 -8.021 1.00 0.00 H new ATOM 0 HG22 VAL A 65 14.843 -8.630 -6.549 1.00 0.00 H new ATOM 0 HG23 VAL A 65 13.155 -8.914 -7.035 1.00 0.00 H new ATOM 1043 N VAL A 66 12.000 -4.776 -8.205 1.00 0.00 N ATOM 1044 CA VAL A 66 11.481 -3.696 -9.026 1.00 0.00 C ATOM 1045 C VAL A 66 10.980 -2.545 -8.160 1.00 0.00 C ATOM 1046 O VAL A 66 10.468 -2.757 -7.061 1.00 0.00 O ATOM 1047 CB VAL A 66 10.332 -4.211 -9.885 1.00 0.00 C ATOM 1048 CG1 VAL A 66 10.870 -5.170 -10.946 1.00 0.00 C ATOM 1049 CG2 VAL A 66 9.318 -4.943 -9.003 1.00 0.00 C ATOM 0 H VAL A 66 11.305 -5.239 -7.620 1.00 0.00 H new ATOM 0 HA VAL A 66 12.289 -3.332 -9.661 1.00 0.00 H new ATOM 0 HB VAL A 66 9.845 -3.367 -10.374 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.045 -5.536 -11.558 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.587 -4.647 -11.579 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.362 -6.012 -10.459 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.498 -5.310 -9.620 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.805 -5.784 -8.509 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.928 -4.257 -8.251 1.00 0.00 H new ATOM 1059 N THR A 67 11.124 -1.325 -8.670 1.00 0.00 N ATOM 1060 CA THR A 67 10.673 -0.146 -7.942 1.00 0.00 C ATOM 1061 C THR A 67 9.985 0.836 -8.892 1.00 0.00 C ATOM 1062 O THR A 67 10.316 0.893 -10.076 1.00 0.00 O ATOM 1063 CB THR A 67 11.860 0.537 -7.262 1.00 0.00 C ATOM 1064 OG1 THR A 67 12.952 0.598 -8.167 1.00 0.00 O ATOM 1065 CG2 THR A 67 12.259 -0.264 -6.023 1.00 0.00 C ATOM 0 H THR A 67 11.546 -1.129 -9.578 1.00 0.00 H new ATOM 0 HA THR A 67 9.958 -0.460 -7.182 1.00 0.00 H new ATOM 0 HB THR A 67 11.583 1.549 -6.966 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.713 1.037 -7.733 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.105 0.219 -5.534 1.00 0.00 H new ATOM 0 HG22 THR A 67 11.417 -0.308 -5.332 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.539 -1.275 -6.318 1.00 0.00 H new ATOM 1073 N PRO A 68 9.037 1.600 -8.405 1.00 0.00 N ATOM 1074 CA PRO A 68 8.603 1.566 -6.980 1.00 0.00 C ATOM 1075 C PRO A 68 7.796 0.313 -6.664 1.00 0.00 C ATOM 1076 O PRO A 68 7.279 -0.346 -7.567 1.00 0.00 O ATOM 1077 CB PRO A 68 7.740 2.825 -6.803 1.00 0.00 C ATOM 1078 CG PRO A 68 7.715 3.533 -8.124 1.00 0.00 C ATOM 1079 CD PRO A 68 8.276 2.581 -9.180 1.00 0.00 C ATOM 0 HA PRO A 68 9.457 1.545 -6.303 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.730 2.559 -6.490 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.154 3.470 -6.028 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.697 3.828 -8.379 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.310 4.445 -8.079 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.479 2.106 -9.752 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.912 3.106 -9.893 1.00 0.00 H new ATOM 1087 N ALA A 69 7.705 -0.020 -5.383 1.00 0.00 N ATOM 1088 CA ALA A 69 6.973 -1.208 -4.974 1.00 0.00 C ATOM 1089 C ALA A 69 6.348 -1.018 -3.597 1.00 0.00 C ATOM 1090 O ALA A 69 6.846 -0.249 -2.775 1.00 0.00 O ATOM 1091 CB ALA A 69 7.919 -2.406 -4.937 1.00 0.00 C ATOM 0 H ALA A 69 8.124 0.510 -4.619 1.00 0.00 H new ATOM 0 HA ALA A 69 6.176 -1.384 -5.697 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.368 -3.295 -4.630 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.343 -2.566 -5.928 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.722 -2.213 -4.226 1.00 0.00 H new ATOM 1097 N LEU A 70 5.255 -1.735 -3.354 1.00 0.00 N ATOM 1098 CA LEU A 70 4.561 -1.654 -2.077 1.00 0.00 C ATOM 1099 C LEU A 70 4.388 -3.053 -1.490 1.00 0.00 C ATOM 1100 O LEU A 70 3.934 -3.965 -2.179 1.00 0.00 O ATOM 1101 CB LEU A 70 3.195 -0.995 -2.277 1.00 0.00 C ATOM 1102 CG LEU A 70 2.660 -0.515 -0.931 1.00 0.00 C ATOM 1103 CD1 LEU A 70 1.510 0.464 -1.165 1.00 0.00 C ATOM 1104 CD2 LEU A 70 2.159 -1.709 -0.123 1.00 0.00 C ATOM 0 H LEU A 70 4.833 -2.377 -4.025 1.00 0.00 H new ATOM 0 HA LEU A 70 5.149 -1.053 -1.384 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.282 -0.155 -2.966 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.499 -1.704 -2.725 1.00 0.00 H new ATOM 0 HG LEU A 70 3.457 -0.017 -0.379 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.125 0.809 -0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.870 1.317 -1.740 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.714 -0.035 -1.717 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.777 -1.364 0.838 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.361 -2.210 -0.671 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.980 -2.407 0.042 1.00 0.00 H new ATOM 1116 N VAL A 71 4.774 -3.230 -0.224 1.00 0.00 N ATOM 1117 CA VAL A 71 4.668 -4.545 0.406 1.00 0.00 C ATOM 1118 C VAL A 71 3.965 -4.487 1.764 1.00 0.00 C ATOM 1119 O VAL A 71 4.369 -3.743 2.656 1.00 0.00 O ATOM 1120 CB VAL A 71 6.069 -5.132 0.591 1.00 0.00 C ATOM 1121 CG1 VAL A 71 5.962 -6.580 1.070 1.00 0.00 C ATOM 1122 CG2 VAL A 71 6.821 -5.091 -0.744 1.00 0.00 C ATOM 0 H VAL A 71 5.155 -2.496 0.373 1.00 0.00 H new ATOM 0 HA VAL A 71 4.067 -5.174 -0.250 1.00 0.00 H new ATOM 0 HB VAL A 71 6.610 -4.545 1.333 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.961 -6.995 1.201 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.429 -6.610 2.021 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.419 -7.169 0.331 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.819 -5.509 -0.612 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.277 -5.676 -1.486 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.902 -4.059 -1.084 1.00 0.00 H new ATOM 1132 N LYS A 72 2.931 -5.315 1.914 1.00 0.00 N ATOM 1133 CA LYS A 72 2.189 -5.399 3.171 1.00 0.00 C ATOM 1134 C LYS A 72 2.746 -6.542 4.010 1.00 0.00 C ATOM 1135 O LYS A 72 2.982 -7.637 3.497 1.00 0.00 O ATOM 1136 CB LYS A 72 0.702 -5.633 2.900 1.00 0.00 C ATOM 1137 CG LYS A 72 -0.089 -5.431 4.194 1.00 0.00 C ATOM 1138 CD LYS A 72 -0.303 -6.782 4.879 1.00 0.00 C ATOM 1139 CE LYS A 72 -1.573 -7.435 4.332 1.00 0.00 C ATOM 1140 NZ LYS A 72 -1.705 -7.119 2.880 1.00 0.00 N ATOM 0 H LYS A 72 2.589 -5.936 1.181 1.00 0.00 H new ATOM 0 HA LYS A 72 2.299 -4.459 3.711 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.348 -4.944 2.133 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.545 -6.642 2.519 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.449 -4.755 4.859 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.050 -4.966 3.976 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.556 -7.430 4.705 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.387 -6.646 5.957 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.533 -8.514 4.479 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.445 -7.072 4.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.540 -7.604 2.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.813 -6.092 2.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.854 -7.441 2.376 1.00 0.00 H new ATOM 1154 N ILE A 73 2.970 -6.289 5.293 1.00 0.00 N ATOM 1155 CA ILE A 73 3.520 -7.320 6.168 1.00 0.00 C ATOM 1156 C ILE A 73 2.456 -7.922 7.087 1.00 0.00 C ATOM 1157 O ILE A 73 2.600 -9.057 7.540 1.00 0.00 O ATOM 1158 CB ILE A 73 4.669 -6.745 6.997 1.00 0.00 C ATOM 1159 CG1 ILE A 73 4.451 -5.244 7.201 1.00 0.00 C ATOM 1160 CG2 ILE A 73 5.995 -6.978 6.269 1.00 0.00 C ATOM 1161 CD1 ILE A 73 5.065 -4.467 6.030 1.00 0.00 C ATOM 0 H ILE A 73 2.784 -5.395 5.747 1.00 0.00 H new ATOM 0 HA ILE A 73 3.895 -8.123 5.534 1.00 0.00 H new ATOM 0 HB ILE A 73 4.699 -7.241 7.967 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.385 -5.028 7.274 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.905 -4.925 8.139 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.812 -6.567 6.862 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.150 -8.048 6.129 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.968 -6.485 5.297 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.907 -3.399 6.180 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.134 -4.672 5.978 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.590 -4.777 5.099 1.00 0.00 H new ATOM 1173 N GLY A 74 1.386 -7.178 7.357 1.00 0.00 N ATOM 1174 CA GLY A 74 0.328 -7.701 8.219 1.00 0.00 C ATOM 1175 C GLY A 74 -0.416 -6.588 8.950 1.00 0.00 C ATOM 1176 O GLY A 74 -0.198 -5.406 8.690 1.00 0.00 O ATOM 0 H GLY A 74 1.229 -6.235 7.002 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.378 -8.275 7.619 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.760 -8.387 8.947 1.00 0.00 H new ATOM 1180 N PRO A 75 -1.287 -6.951 9.862 1.00 0.00 N ATOM 1181 CA PRO A 75 -1.564 -8.378 10.191 1.00 0.00 C ATOM 1182 C PRO A 75 -2.125 -9.147 8.998 1.00 0.00 C ATOM 1183 O PRO A 75 -2.648 -8.554 8.055 1.00 0.00 O ATOM 1184 CB PRO A 75 -2.586 -8.342 11.331 1.00 0.00 C ATOM 1185 CG PRO A 75 -2.880 -6.907 11.636 1.00 0.00 C ATOM 1186 CD PRO A 75 -2.092 -6.025 10.665 1.00 0.00 C ATOM 0 HA PRO A 75 -0.645 -8.894 10.470 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.498 -8.866 11.044 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -2.192 -8.847 12.213 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.948 -6.712 11.541 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.604 -6.676 12.665 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.761 -5.439 10.035 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -1.459 -5.318 11.202 1.00 0.00 H new ATOM 1194 N GLY A 76 -2.007 -10.472 9.046 1.00 0.00 N ATOM 1195 CA GLY A 76 -2.499 -11.315 7.959 1.00 0.00 C ATOM 1196 C GLY A 76 -1.356 -11.749 7.048 1.00 0.00 C ATOM 1197 O GLY A 76 -0.191 -11.445 7.310 1.00 0.00 O ATOM 0 H GLY A 76 -1.579 -10.982 9.819 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.995 -12.194 8.371 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.245 -10.770 7.380 1.00 0.00 H new ATOM 1201 N SER A 77 -1.695 -12.462 5.978 1.00 0.00 N ATOM 1202 CA SER A 77 -0.686 -12.937 5.036 1.00 0.00 C ATOM 1203 C SER A 77 0.125 -11.779 4.468 1.00 0.00 C ATOM 1204 O SER A 77 -0.287 -10.621 4.530 1.00 0.00 O ATOM 1205 CB SER A 77 -1.348 -13.697 3.889 1.00 0.00 C ATOM 1206 OG SER A 77 -0.460 -13.738 2.780 1.00 0.00 O ATOM 0 H SER A 77 -2.653 -12.722 5.742 1.00 0.00 H new ATOM 0 HA SER A 77 -0.015 -13.603 5.578 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.600 -14.709 4.206 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.281 -13.210 3.605 1.00 0.00 H new ATOM 0 HG SER A 77 -0.881 -14.226 2.042 1.00 0.00 H new ATOM 1212 N ARG A 78 1.282 -12.113 3.915 1.00 0.00 N ATOM 1213 CA ARG A 78 2.163 -11.112 3.328 1.00 0.00 C ATOM 1214 C ARG A 78 1.927 -11.016 1.823 1.00 0.00 C ATOM 1215 O ARG A 78 1.696 -12.026 1.159 1.00 0.00 O ATOM 1216 CB ARG A 78 3.620 -11.502 3.582 1.00 0.00 C ATOM 1217 CG ARG A 78 4.538 -10.347 3.182 1.00 0.00 C ATOM 1218 CD ARG A 78 5.990 -10.834 3.169 1.00 0.00 C ATOM 1219 NE ARG A 78 6.216 -11.708 2.023 1.00 0.00 N ATOM 1220 CZ ARG A 78 7.315 -12.450 1.925 1.00 0.00 C ATOM 1221 NH1 ARG A 78 8.462 -11.978 2.328 1.00 0.00 N ATOM 1222 NH2 ARG A 78 7.246 -13.652 1.420 1.00 0.00 N ATOM 0 H ARG A 78 1.633 -13.069 3.860 1.00 0.00 H new ATOM 0 HA ARG A 78 1.951 -10.146 3.786 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.763 -11.746 4.635 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.873 -12.395 3.011 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.260 -9.971 2.197 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.426 -9.519 3.883 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.667 -9.981 3.125 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.211 -11.369 4.093 1.00 0.00 H new ATOM 0 HE ARG A 78 5.517 -11.751 1.282 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.517 -11.038 2.719 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.304 -12.549 2.252 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.350 -14.021 1.101 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.088 -14.222 1.344 1.00 0.00 H new ATOM 1236 N GLN A 79 1.999 -9.803 1.288 1.00 0.00 N ATOM 1237 CA GLN A 79 1.804 -9.601 -0.144 1.00 0.00 C ATOM 1238 C GLN A 79 2.749 -8.526 -0.665 1.00 0.00 C ATOM 1239 O GLN A 79 3.069 -7.572 0.045 1.00 0.00 O ATOM 1240 CB GLN A 79 0.358 -9.190 -0.437 1.00 0.00 C ATOM 1241 CG GLN A 79 -0.588 -10.324 -0.044 1.00 0.00 C ATOM 1242 CD GLN A 79 -1.998 -10.019 -0.538 1.00 0.00 C ATOM 1243 OE1 GLN A 79 -2.321 -10.286 -1.695 1.00 0.00 O ATOM 1244 NE2 GLN A 79 -2.858 -9.467 0.272 1.00 0.00 N ATOM 0 H GLN A 79 2.189 -8.952 1.817 1.00 0.00 H new ATOM 0 HA GLN A 79 2.018 -10.543 -0.649 1.00 0.00 H new ATOM 0 HB2 GLN A 79 0.107 -8.285 0.117 1.00 0.00 H new ATOM 0 HB3 GLN A 79 0.243 -8.958 -1.496 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.239 -11.264 -0.471 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.592 -10.447 1.039 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.587 -9.247 1.230 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -3.801 -9.255 -0.053 1.00 0.00 H new ATOM 1253 N VAL A 80 3.188 -8.683 -1.909 1.00 0.00 N ATOM 1254 CA VAL A 80 4.093 -7.713 -2.512 1.00 0.00 C ATOM 1255 C VAL A 80 3.471 -7.104 -3.764 1.00 0.00 C ATOM 1256 O VAL A 80 3.119 -7.818 -4.703 1.00 0.00 O ATOM 1257 CB VAL A 80 5.412 -8.392 -2.885 1.00 0.00 C ATOM 1258 CG1 VAL A 80 6.398 -7.346 -3.418 1.00 0.00 C ATOM 1259 CG2 VAL A 80 6.005 -9.070 -1.649 1.00 0.00 C ATOM 0 H VAL A 80 2.935 -9.464 -2.514 1.00 0.00 H new ATOM 0 HA VAL A 80 4.279 -6.921 -1.786 1.00 0.00 H new ATOM 0 HB VAL A 80 5.227 -9.140 -3.656 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.337 -7.833 -3.683 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.977 -6.865 -4.301 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.583 -6.595 -2.650 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.945 -9.554 -1.915 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.187 -8.323 -0.876 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.306 -9.817 -1.273 1.00 0.00 H new ATOM 1269 N LEU A 81 3.354 -5.781 -3.780 1.00 0.00 N ATOM 1270 CA LEU A 81 2.792 -5.092 -4.933 1.00 0.00 C ATOM 1271 C LEU A 81 3.860 -4.220 -5.579 1.00 0.00 C ATOM 1272 O LEU A 81 4.550 -3.470 -4.893 1.00 0.00 O ATOM 1273 CB LEU A 81 1.622 -4.212 -4.502 1.00 0.00 C ATOM 1274 CG LEU A 81 0.693 -4.986 -3.566 1.00 0.00 C ATOM 1275 CD1 LEU A 81 -0.239 -3.999 -2.864 1.00 0.00 C ATOM 1276 CD2 LEU A 81 -0.149 -5.981 -4.370 1.00 0.00 C ATOM 0 H LEU A 81 3.638 -5.170 -3.015 1.00 0.00 H new ATOM 0 HA LEU A 81 2.439 -5.835 -5.648 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.995 -3.320 -3.999 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.068 -3.876 -5.379 1.00 0.00 H new ATOM 0 HG LEU A 81 1.290 -5.529 -2.833 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.906 -4.542 -2.194 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.352 -3.286 -2.289 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.829 -3.464 -3.608 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.808 -6.528 -3.696 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.748 -5.441 -5.104 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.509 -6.683 -4.883 1.00 0.00 H new ATOM 1288 N SER A 82 3.997 -4.313 -6.896 1.00 0.00 N ATOM 1289 CA SER A 82 4.992 -3.510 -7.595 1.00 0.00 C ATOM 1290 C SER A 82 4.626 -3.320 -9.055 1.00 0.00 C ATOM 1291 O SER A 82 3.729 -3.977 -9.580 1.00 0.00 O ATOM 1292 CB SER A 82 6.368 -4.166 -7.510 1.00 0.00 C ATOM 1293 OG SER A 82 7.285 -3.432 -8.311 1.00 0.00 O ATOM 0 H SER A 82 3.442 -4.926 -7.493 1.00 0.00 H new ATOM 0 HA SER A 82 5.018 -2.535 -7.108 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.709 -4.191 -6.475 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.313 -5.199 -7.852 1.00 0.00 H new ATOM 0 HG SER A 82 7.472 -2.569 -7.886 1.00 0.00 H new ATOM 1299 N GLY A 83 5.352 -2.422 -9.706 1.00 0.00 N ATOM 1300 CA GLY A 83 5.127 -2.148 -11.119 1.00 0.00 C ATOM 1301 C GLY A 83 4.196 -0.957 -11.331 1.00 0.00 C ATOM 1302 O GLY A 83 3.249 -1.032 -12.115 1.00 0.00 O ATOM 0 H GLY A 83 6.099 -1.873 -9.281 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.082 -1.953 -11.607 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.700 -3.031 -11.596 1.00 0.00 H new ATOM 1306 N ILE A 84 4.479 0.143 -10.643 1.00 0.00 N ATOM 1307 CA ILE A 84 3.669 1.358 -10.768 1.00 0.00 C ATOM 1308 C ILE A 84 2.174 1.050 -10.791 1.00 0.00 C ATOM 1309 O ILE A 84 1.351 1.948 -10.974 1.00 0.00 O ATOM 1310 CB ILE A 84 4.055 2.103 -12.044 1.00 0.00 C ATOM 1311 CG1 ILE A 84 3.735 1.240 -13.268 1.00 0.00 C ATOM 1312 CG2 ILE A 84 5.551 2.393 -12.012 1.00 0.00 C ATOM 1313 CD1 ILE A 84 3.872 2.086 -14.533 1.00 0.00 C ATOM 0 H ILE A 84 5.261 0.223 -9.993 1.00 0.00 H new ATOM 0 HA ILE A 84 3.868 1.978 -9.894 1.00 0.00 H new ATOM 0 HB ILE A 84 3.493 3.035 -12.106 1.00 0.00 H new ATOM 0 HG12 ILE A 84 4.412 0.387 -13.312 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.724 0.841 -13.191 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.838 2.925 -12.919 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.784 3.007 -11.142 1.00 0.00 H new ATOM 0 HG23 ILE A 84 6.102 1.455 -11.952 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.645 1.474 -15.406 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.177 2.925 -14.487 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.892 2.463 -14.610 1.00 0.00 H new ATOM 1325 N ASP A 85 1.828 -0.213 -10.592 1.00 0.00 N ATOM 1326 CA ASP A 85 0.427 -0.615 -10.580 1.00 0.00 C ATOM 1327 C ASP A 85 -0.066 -0.721 -9.140 1.00 0.00 C ATOM 1328 O ASP A 85 -1.132 -1.274 -8.870 1.00 0.00 O ATOM 1329 CB ASP A 85 0.261 -1.963 -11.287 1.00 0.00 C ATOM 1330 CG ASP A 85 0.944 -3.064 -10.482 1.00 0.00 C ATOM 1331 OD1 ASP A 85 1.180 -2.850 -9.305 1.00 0.00 O ATOM 1332 OD2 ASP A 85 1.218 -4.106 -11.053 1.00 0.00 O ATOM 0 H ASP A 85 2.491 -0.973 -10.438 1.00 0.00 H new ATOM 0 HA ASP A 85 -0.162 0.135 -11.107 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.798 -2.192 -11.406 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.691 -1.913 -12.287 1.00 0.00 H new ATOM 1337 N LEU A 86 0.736 -0.193 -8.222 1.00 0.00 N ATOM 1338 CA LEU A 86 0.411 -0.229 -6.803 1.00 0.00 C ATOM 1339 C LEU A 86 -1.007 0.264 -6.532 1.00 0.00 C ATOM 1340 O LEU A 86 -1.729 -0.330 -5.736 1.00 0.00 O ATOM 1341 CB LEU A 86 1.405 0.642 -6.036 1.00 0.00 C ATOM 1342 CG LEU A 86 2.830 0.183 -6.344 1.00 0.00 C ATOM 1343 CD1 LEU A 86 3.825 1.066 -5.592 1.00 0.00 C ATOM 1344 CD2 LEU A 86 3.004 -1.270 -5.900 1.00 0.00 C ATOM 0 H LEU A 86 1.620 0.267 -8.438 1.00 0.00 H new ATOM 0 HA LEU A 86 0.474 -1.265 -6.470 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.280 1.688 -6.316 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.213 0.574 -4.965 1.00 0.00 H new ATOM 0 HG LEU A 86 3.012 0.261 -7.416 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.841 0.738 -5.812 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.702 2.102 -5.907 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.643 0.988 -4.520 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.020 -1.598 -6.119 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.821 -1.347 -4.828 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.295 -1.901 -6.436 1.00 0.00 H new ATOM 1356 N THR A 87 -1.400 1.356 -7.175 1.00 0.00 N ATOM 1357 CA THR A 87 -2.735 1.899 -6.953 1.00 0.00 C ATOM 1358 C THR A 87 -3.803 0.935 -7.451 1.00 0.00 C ATOM 1359 O THR A 87 -4.837 0.762 -6.808 1.00 0.00 O ATOM 1360 CB THR A 87 -2.892 3.253 -7.653 1.00 0.00 C ATOM 1361 OG1 THR A 87 -2.762 3.076 -9.057 1.00 0.00 O ATOM 1362 CG2 THR A 87 -1.817 4.224 -7.156 1.00 0.00 C ATOM 0 H THR A 87 -0.828 1.875 -7.841 1.00 0.00 H new ATOM 0 HA THR A 87 -2.863 2.039 -5.880 1.00 0.00 H new ATOM 0 HB THR A 87 -3.876 3.664 -7.426 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.167 3.838 -9.522 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.934 5.185 -7.658 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.921 4.362 -6.080 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.830 3.818 -7.376 1.00 0.00 H new ATOM 1370 N ASP A 88 -3.548 0.297 -8.586 1.00 0.00 N ATOM 1371 CA ASP A 88 -4.503 -0.654 -9.124 1.00 0.00 C ATOM 1372 C ASP A 88 -4.493 -1.913 -8.273 1.00 0.00 C ATOM 1373 O ASP A 88 -5.541 -2.425 -7.877 1.00 0.00 O ATOM 1374 CB ASP A 88 -4.131 -1.002 -10.563 1.00 0.00 C ATOM 1375 CG ASP A 88 -4.287 0.225 -11.455 1.00 0.00 C ATOM 1376 OD1 ASP A 88 -4.899 1.182 -11.010 1.00 0.00 O ATOM 1377 OD2 ASP A 88 -3.796 0.189 -12.571 1.00 0.00 O ATOM 0 H ASP A 88 -2.702 0.420 -9.142 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.500 -0.214 -9.111 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.103 -1.363 -10.604 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -4.767 -1.809 -10.926 1.00 0.00 H new ATOM 1382 N GLN A 89 -3.292 -2.395 -7.980 1.00 0.00 N ATOM 1383 CA GLN A 89 -3.135 -3.583 -7.161 1.00 0.00 C ATOM 1384 C GLN A 89 -3.561 -3.299 -5.724 1.00 0.00 C ATOM 1385 O GLN A 89 -4.316 -4.067 -5.131 1.00 0.00 O ATOM 1386 CB GLN A 89 -1.675 -4.039 -7.190 1.00 0.00 C ATOM 1387 CG GLN A 89 -1.591 -5.461 -7.748 1.00 0.00 C ATOM 1388 CD GLN A 89 -0.150 -5.953 -7.702 1.00 0.00 C ATOM 1389 OE1 GLN A 89 0.114 -7.131 -7.940 1.00 0.00 O ATOM 1390 NE2 GLN A 89 0.803 -5.113 -7.414 1.00 0.00 N ATOM 0 H GLN A 89 -2.416 -1.980 -8.298 1.00 0.00 H new ATOM 0 HA GLN A 89 -3.769 -4.373 -7.562 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -1.084 -3.361 -7.806 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -1.254 -4.007 -6.185 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.230 -6.127 -7.168 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -1.958 -5.480 -8.774 1.00 0.00 H new ATOM 0 HE21 GLN A 89 0.581 -4.137 -7.217 1.00 0.00 H new ATOM 0 HE22 GLN A 89 1.772 -5.431 -7.385 1.00 0.00 H new ATOM 1399 N LEU A 90 -3.079 -2.188 -5.168 1.00 0.00 N ATOM 1400 CA LEU A 90 -3.434 -1.829 -3.803 1.00 0.00 C ATOM 1401 C LEU A 90 -4.947 -1.722 -3.663 1.00 0.00 C ATOM 1402 O LEU A 90 -5.539 -2.271 -2.734 1.00 0.00 O ATOM 1403 CB LEU A 90 -2.789 -0.496 -3.425 1.00 0.00 C ATOM 1404 CG LEU A 90 -3.127 -0.169 -1.973 1.00 0.00 C ATOM 1405 CD1 LEU A 90 -2.352 -1.106 -1.044 1.00 0.00 C ATOM 1406 CD2 LEU A 90 -2.740 1.280 -1.675 1.00 0.00 C ATOM 0 H LEU A 90 -2.452 -1.533 -5.635 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.068 -2.607 -3.133 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.708 -0.551 -3.556 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.150 0.295 -4.082 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.197 -0.301 -1.810 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.594 -0.872 -0.007 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.627 -2.139 -1.257 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.282 -0.975 -1.205 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.981 1.515 -0.638 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.670 1.412 -1.838 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.293 1.948 -2.336 1.00 0.00 H new ATOM 1418 N ALA A 91 -5.568 -1.023 -4.607 1.00 0.00 N ATOM 1419 CA ALA A 91 -7.014 -0.862 -4.591 1.00 0.00 C ATOM 1420 C ALA A 91 -7.676 -2.232 -4.625 1.00 0.00 C ATOM 1421 O ALA A 91 -8.764 -2.426 -4.086 1.00 0.00 O ATOM 1422 CB ALA A 91 -7.463 -0.031 -5.796 1.00 0.00 C ATOM 0 H ALA A 91 -5.096 -0.563 -5.386 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.309 -0.342 -3.680 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.547 0.084 -5.775 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.993 0.952 -5.756 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.169 -0.536 -6.716 1.00 0.00 H new ATOM 1428 N ASN A 92 -6.995 -3.179 -5.262 1.00 0.00 N ATOM 1429 CA ASN A 92 -7.493 -4.538 -5.366 1.00 0.00 C ATOM 1430 C ASN A 92 -7.207 -5.316 -4.084 1.00 0.00 C ATOM 1431 O ASN A 92 -8.011 -6.143 -3.651 1.00 0.00 O ATOM 1432 CB ASN A 92 -6.812 -5.234 -6.543 1.00 0.00 C ATOM 1433 CG ASN A 92 -7.323 -4.664 -7.861 1.00 0.00 C ATOM 1434 OD1 ASN A 92 -6.631 -4.728 -8.877 1.00 0.00 O ATOM 1435 ND2 ASN A 92 -8.500 -4.102 -7.907 1.00 0.00 N ATOM 0 H ASN A 92 -6.094 -3.025 -5.714 1.00 0.00 H new ATOM 0 HA ASN A 92 -8.571 -4.506 -5.522 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -5.732 -5.103 -6.477 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -7.006 -6.306 -6.503 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -8.847 -3.716 -8.785 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -9.073 -4.049 -7.065 1.00 0.00 H new ATOM 1442 N GLN A 93 -6.045 -5.050 -3.496 1.00 0.00 N ATOM 1443 CA GLN A 93 -5.629 -5.730 -2.277 1.00 0.00 C ATOM 1444 C GLN A 93 -6.322 -5.166 -1.043 1.00 0.00 C ATOM 1445 O GLN A 93 -6.713 -5.914 -0.145 1.00 0.00 O ATOM 1446 CB GLN A 93 -4.119 -5.585 -2.097 1.00 0.00 C ATOM 1447 CG GLN A 93 -3.390 -6.352 -3.199 1.00 0.00 C ATOM 1448 CD GLN A 93 -3.798 -7.818 -3.167 1.00 0.00 C ATOM 1449 OE1 GLN A 93 -3.878 -8.417 -2.095 1.00 0.00 O ATOM 1450 NE2 GLN A 93 -4.057 -8.437 -4.283 1.00 0.00 N ATOM 0 H GLN A 93 -5.374 -4.366 -3.846 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.908 -6.779 -2.379 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -3.839 -4.532 -2.128 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -3.822 -5.965 -1.119 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -3.627 -5.921 -4.172 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.312 -6.263 -3.064 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -3.990 -7.938 -5.170 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -4.327 -9.421 -4.270 1.00 0.00 H new ATOM 1459 N LEU A 94 -6.451 -3.847 -0.987 1.00 0.00 N ATOM 1460 CA LEU A 94 -7.074 -3.207 0.159 1.00 0.00 C ATOM 1461 C LEU A 94 -8.436 -3.836 0.463 1.00 0.00 C ATOM 1462 O LEU A 94 -8.646 -4.351 1.562 1.00 0.00 O ATOM 1463 CB LEU A 94 -7.198 -1.704 -0.095 1.00 0.00 C ATOM 1464 CG LEU A 94 -8.160 -1.081 0.918 1.00 0.00 C ATOM 1465 CD1 LEU A 94 -7.719 -1.447 2.337 1.00 0.00 C ATOM 1466 CD2 LEU A 94 -8.145 0.441 0.759 1.00 0.00 C ATOM 0 H LEU A 94 -6.135 -3.206 -1.715 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.445 -3.359 1.036 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.219 -1.232 -0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.558 -1.526 -1.108 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.167 -1.459 0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.405 -1.002 3.057 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.725 -2.531 2.452 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.712 -1.069 2.514 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.830 0.889 1.479 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.137 0.815 0.935 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.458 0.704 -0.251 1.00 0.00 H new ATOM 1478 N PRO A 95 -9.353 -3.836 -0.474 1.00 0.00 N ATOM 1479 CA PRO A 95 -10.692 -4.449 -0.268 1.00 0.00 C ATOM 1480 C PRO A 95 -10.574 -5.859 0.306 1.00 0.00 C ATOM 1481 O PRO A 95 -11.306 -6.236 1.221 1.00 0.00 O ATOM 1482 CB PRO A 95 -11.313 -4.511 -1.672 1.00 0.00 C ATOM 1483 CG PRO A 95 -10.300 -3.960 -2.629 1.00 0.00 C ATOM 1484 CD PRO A 95 -9.228 -3.248 -1.809 1.00 0.00 C ATOM 0 HA PRO A 95 -11.291 -3.873 0.438 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.571 -5.537 -1.934 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.235 -3.931 -1.711 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -9.859 -4.761 -3.222 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -10.770 -3.268 -3.327 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -8.234 -3.411 -2.225 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -9.392 -2.171 -1.787 1.00 0.00 H new ATOM 1492 N GLN A 96 -9.645 -6.632 -0.252 1.00 0.00 N ATOM 1493 CA GLN A 96 -9.421 -8.005 0.187 1.00 0.00 C ATOM 1494 C GLN A 96 -8.977 -8.045 1.643 1.00 0.00 C ATOM 1495 O GLN A 96 -9.340 -8.956 2.388 1.00 0.00 O ATOM 1496 CB GLN A 96 -8.350 -8.658 -0.688 1.00 0.00 C ATOM 1497 CG GLN A 96 -8.843 -8.719 -2.133 1.00 0.00 C ATOM 1498 CD GLN A 96 -7.750 -9.285 -3.033 1.00 0.00 C ATOM 1499 OE1 GLN A 96 -6.575 -9.275 -2.666 1.00 0.00 O ATOM 1500 NE2 GLN A 96 -8.066 -9.782 -4.198 1.00 0.00 N ATOM 0 H GLN A 96 -9.034 -6.329 -1.011 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.360 -8.551 0.094 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -7.422 -8.088 -0.632 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -8.130 -9.662 -0.324 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.736 -9.341 -2.195 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -9.125 -7.722 -2.472 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -9.040 -9.790 -4.502 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.339 -10.162 -4.804 1.00 0.00 H new ATOM 1509 N TRP A 97 -8.185 -7.057 2.043 1.00 0.00 N ATOM 1510 CA TRP A 97 -7.696 -6.999 3.416 1.00 0.00 C ATOM 1511 C TRP A 97 -8.868 -6.832 4.374 1.00 0.00 C ATOM 1512 O TRP A 97 -8.909 -7.446 5.441 1.00 0.00 O ATOM 1513 CB TRP A 97 -6.735 -5.822 3.590 1.00 0.00 C ATOM 1514 CG TRP A 97 -5.622 -5.921 2.595 1.00 0.00 C ATOM 1515 CD1 TRP A 97 -5.383 -6.983 1.791 1.00 0.00 C ATOM 1516 CD2 TRP A 97 -4.599 -4.933 2.285 1.00 0.00 C ATOM 1517 NE1 TRP A 97 -4.276 -6.709 1.006 1.00 0.00 N ATOM 1518 CE2 TRP A 97 -3.759 -5.457 1.275 1.00 0.00 C ATOM 1519 CE3 TRP A 97 -4.325 -3.645 2.779 1.00 0.00 C ATOM 1520 CZ2 TRP A 97 -2.680 -4.727 0.773 1.00 0.00 C ATOM 1521 CZ3 TRP A 97 -3.241 -2.909 2.277 1.00 0.00 C ATOM 1522 CH2 TRP A 97 -2.420 -3.449 1.275 1.00 0.00 C ATOM 0 H TRP A 97 -7.870 -6.293 1.444 1.00 0.00 H new ATOM 0 HA TRP A 97 -7.169 -7.928 3.636 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -7.270 -4.882 3.457 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -6.330 -5.818 4.602 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -5.961 -7.895 1.766 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -3.890 -7.352 0.315 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -4.952 -3.220 3.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -2.051 -5.147 0.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -3.037 -1.921 2.664 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -1.588 -2.877 0.892 1.00 0.00 H new ATOM 1533 N LEU A 98 -9.824 -6.001 3.978 1.00 0.00 N ATOM 1534 CA LEU A 98 -11.000 -5.760 4.794 1.00 0.00 C ATOM 1535 C LEU A 98 -11.863 -7.017 4.849 1.00 0.00 C ATOM 1536 O LEU A 98 -12.407 -7.370 5.895 1.00 0.00 O ATOM 1537 CB LEU A 98 -11.794 -4.601 4.195 1.00 0.00 C ATOM 1538 CG LEU A 98 -10.862 -3.402 3.986 1.00 0.00 C ATOM 1539 CD1 LEU A 98 -11.645 -2.244 3.363 1.00 0.00 C ATOM 1540 CD2 LEU A 98 -10.287 -2.957 5.333 1.00 0.00 C ATOM 0 H LEU A 98 -9.805 -5.485 3.098 1.00 0.00 H new ATOM 0 HA LEU A 98 -10.696 -5.505 5.809 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -12.237 -4.901 3.246 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -12.615 -4.327 4.858 1.00 0.00 H new ATOM 0 HG LEU A 98 -10.049 -3.692 3.320 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.980 -1.393 3.216 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -12.053 -2.556 2.402 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -12.460 -1.957 4.027 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.625 -2.105 5.182 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -11.101 -2.671 5.999 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.725 -3.778 5.778 1.00 0.00 H new ATOM 1552 N VAL A 99 -11.972 -7.693 3.709 1.00 0.00 N ATOM 1553 CA VAL A 99 -12.758 -8.920 3.621 1.00 0.00 C ATOM 1554 C VAL A 99 -12.019 -10.072 4.301 1.00 0.00 C ATOM 1555 O VAL A 99 -12.621 -10.885 5.001 1.00 0.00 O ATOM 1556 CB VAL A 99 -13.018 -9.257 2.147 1.00 0.00 C ATOM 1557 CG1 VAL A 99 -13.781 -10.579 2.028 1.00 0.00 C ATOM 1558 CG2 VAL A 99 -13.851 -8.143 1.507 1.00 0.00 C ATOM 0 H VAL A 99 -11.527 -7.413 2.835 1.00 0.00 H new ATOM 0 HA VAL A 99 -13.710 -8.771 4.130 1.00 0.00 H new ATOM 0 HB VAL A 99 -12.059 -9.349 1.636 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -13.958 -10.804 0.976 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -13.193 -11.380 2.477 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -14.736 -10.496 2.546 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -14.036 -8.383 0.460 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -14.802 -8.053 2.032 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -13.309 -7.200 1.573 1.00 0.00 H new ATOM 1568 N GLN A 100 -10.709 -10.128 4.086 1.00 0.00 N ATOM 1569 CA GLN A 100 -9.880 -11.177 4.675 1.00 0.00 C ATOM 1570 C GLN A 100 -10.316 -12.561 4.203 1.00 0.00 C ATOM 1571 O GLN A 100 -10.237 -13.532 4.956 1.00 0.00 O ATOM 1572 CB GLN A 100 -9.963 -11.127 6.201 1.00 0.00 C ATOM 1573 CG GLN A 100 -9.443 -9.781 6.709 1.00 0.00 C ATOM 1574 CD GLN A 100 -9.289 -9.831 8.225 1.00 0.00 C ATOM 1575 OE1 GLN A 100 -8.890 -8.845 8.843 1.00 0.00 O ATOM 1576 NE2 GLN A 100 -9.579 -10.933 8.863 1.00 0.00 N ATOM 0 H GLN A 100 -10.197 -9.461 3.509 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.854 -11.000 4.352 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -10.994 -11.273 6.522 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -9.377 -11.939 6.632 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -8.485 -9.551 6.243 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -10.133 -8.984 6.430 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -9.910 -11.749 8.348 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -9.475 -10.978 9.877 1.00 0.00 H new ATOM 1585 N GLN A 101 -10.768 -12.654 2.957 1.00 0.00 N ATOM 1586 CA GLN A 101 -11.200 -13.940 2.420 1.00 0.00 C ATOM 1587 C GLN A 101 -10.719 -14.129 0.986 1.00 0.00 C ATOM 1588 O GLN A 101 -10.674 -13.183 0.198 1.00 0.00 O ATOM 1589 CB GLN A 101 -12.722 -14.052 2.484 1.00 0.00 C ATOM 1590 CG GLN A 101 -13.153 -14.073 3.952 1.00 0.00 C ATOM 1591 CD GLN A 101 -14.669 -14.179 4.058 1.00 0.00 C ATOM 1592 OE1 GLN A 101 -15.381 -13.922 3.086 1.00 0.00 O ATOM 1593 NE2 GLN A 101 -15.210 -14.542 5.190 1.00 0.00 N ATOM 0 H GLN A 101 -10.844 -11.870 2.309 1.00 0.00 H new ATOM 0 HA GLN A 101 -10.757 -14.727 3.031 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -13.184 -13.211 1.967 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -13.055 -14.959 1.980 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -12.686 -14.915 4.463 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -12.809 -13.167 4.452 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -14.618 -14.754 5.993 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -16.224 -14.613 5.271 1.00 0.00 H new ATOM 1602 N GLU A 102 -10.360 -15.365 0.661 1.00 0.00 N ATOM 1603 CA GLU A 102 -9.879 -15.697 -0.673 1.00 0.00 C ATOM 1604 C GLU A 102 -11.019 -16.242 -1.526 1.00 0.00 C ATOM 1605 O GLU A 102 -11.896 -16.947 -1.025 1.00 0.00 O ATOM 1606 CB GLU A 102 -8.772 -16.745 -0.562 1.00 0.00 C ATOM 1607 CG GLU A 102 -7.654 -16.206 0.333 1.00 0.00 C ATOM 1608 CD GLU A 102 -6.552 -17.248 0.479 1.00 0.00 C ATOM 1609 OE1 GLU A 102 -6.718 -18.337 -0.047 1.00 0.00 O ATOM 1610 OE2 GLU A 102 -5.562 -16.946 1.123 1.00 0.00 O ATOM 0 H GLU A 102 -10.393 -16.155 1.305 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.488 -14.797 -1.147 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -9.172 -17.670 -0.147 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -8.380 -16.982 -1.551 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -7.245 -15.290 -0.094 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.055 -15.949 1.314 1.00 0.00 H new ATOM 1617 N GLY A 103 -11.008 -15.913 -2.813 1.00 0.00 N ATOM 1618 CA GLY A 103 -12.056 -16.380 -3.714 1.00 0.00 C ATOM 1619 C GLY A 103 -13.431 -16.013 -3.170 1.00 0.00 C ATOM 1620 O GLY A 103 -13.619 -15.899 -1.960 1.00 0.00 O ATOM 0 H GLY A 103 -10.294 -15.332 -3.252 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -11.919 -15.938 -4.701 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -11.984 -17.461 -3.836 1.00 0.00 H new ATOM 1624 N ILE A 104 -14.390 -15.821 -4.070 1.00 0.00 N ATOM 1625 CA ILE A 104 -15.741 -15.457 -3.660 1.00 0.00 C ATOM 1626 C ILE A 104 -16.724 -16.598 -3.913 1.00 0.00 C ATOM 1627 O ILE A 104 -16.695 -17.238 -4.964 1.00 0.00 O ATOM 1628 CB ILE A 104 -16.198 -14.212 -4.421 1.00 0.00 C ATOM 1629 CG1 ILE A 104 -15.206 -13.074 -4.176 1.00 0.00 C ATOM 1630 CG2 ILE A 104 -17.584 -13.794 -3.927 1.00 0.00 C ATOM 1631 CD1 ILE A 104 -15.582 -11.874 -5.048 1.00 0.00 C ATOM 0 H ILE A 104 -14.259 -15.910 -5.078 1.00 0.00 H new ATOM 0 HA ILE A 104 -15.723 -15.250 -2.590 1.00 0.00 H new ATOM 0 HB ILE A 104 -16.243 -14.433 -5.487 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -15.215 -12.790 -3.124 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -14.193 -13.403 -4.409 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -17.911 -12.906 -4.469 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -18.291 -14.605 -4.099 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -17.539 -13.572 -2.861 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -14.876 -11.062 -4.874 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -15.551 -12.163 -6.098 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -16.588 -11.540 -4.793 1.00 0.00 H new ATOM 1643 N PHE A 105 -17.599 -16.839 -2.940 1.00 0.00 N ATOM 1644 CA PHE A 105 -18.597 -17.896 -3.060 1.00 0.00 C ATOM 1645 C PHE A 105 -20.001 -17.331 -2.864 1.00 0.00 C ATOM 1646 O PHE A 105 -20.682 -17.791 -1.961 1.00 0.00 O ATOM 1647 CB PHE A 105 -18.337 -18.986 -2.020 1.00 0.00 C ATOM 1648 CG PHE A 105 -17.249 -19.904 -2.514 1.00 0.00 C ATOM 1649 CD1 PHE A 105 -17.571 -20.981 -3.348 1.00 0.00 C ATOM 1650 CD2 PHE A 105 -15.919 -19.682 -2.139 1.00 0.00 C ATOM 1651 CE1 PHE A 105 -16.564 -21.836 -3.808 1.00 0.00 C ATOM 1652 CE2 PHE A 105 -14.911 -20.538 -2.599 1.00 0.00 C ATOM 1653 CZ PHE A 105 -15.234 -21.614 -3.433 1.00 0.00 C ATOM 1654 OXT PHE A 105 -20.374 -16.451 -3.620 1.00 0.00 O ATOM 0 H PHE A 105 -17.637 -16.319 -2.064 1.00 0.00 H new ATOM 0 HA PHE A 105 -18.523 -18.324 -4.060 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -18.044 -18.536 -1.071 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -19.250 -19.553 -1.836 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -18.598 -21.152 -3.637 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -15.670 -18.851 -1.495 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -16.813 -22.667 -4.452 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -13.884 -20.368 -2.310 1.00 0.00 H new ATOM 0 HZ PHE A 105 -14.456 -22.274 -3.788 1.00 0.00 H new TER 1664 PHE A 105