USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 885 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 59 HIS : no HE2:sc= -9.88! C(o=-21!,f=-28!) USER MOD Set 1.2: A 92 HIS : no HE2:sc= -10.9! C(o=-21!,f=-27!) USER MOD Set 2.1: A 45 LYS NZ :NH3+ -161:sc= 0.148! (180deg=0) USER MOD Set 2.2: A 106 TYR OH : rot 100:sc= -0.674! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -1.14 K(o=-1.1,f=-2.2!) USER MOD Single : A 21 LYS NZ :NH3+ 158:sc= -1.46 (180deg=-2.65!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.07 USER MOD Single : A 30 ASN :FLIP amide:sc= -0.836! C(o=-6.6!,f=-0.84!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 141:sc= -0.377 USER MOD Single : A 41 TYR OH : rot -86:sc= -0.0773 USER MOD Single : A 46 THR OG1 : rot -94:sc= 1.01 USER MOD Single : A 48 GLN :FLIP amide:sc= -5.86! C(o=-8.7!,f=-5.9!) USER MOD Single : A 51 ASN : amide:sc= -1.3! C(o=-1.3!,f=-5.9!) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 129:sc= -1.72 USER MOD Single : A 64 ASN : amide:sc= 0.265 K(o=0.27,f=-6.5!) USER MOD Single : A 66 CYS SG : rot 180:sc= -0.163 USER MOD Single : A 67 SER OG : rot 180:sc= -0.624 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 96:sc= 0.0301 USER MOD Single : A 78 THR OG1 : rot 170:sc= 0.00265 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 ASN :FLIP amide:sc= -0.186 F(o=-1.9!,f=-0.19) USER MOD Single : A 91 GLN :FLIP amide:sc= -4.63! C(o=-6.3!,f=-4.6!) USER MOD Single : A 96 GLN : amide:sc= -3.13! C(o=-3.1!,f=-7.1!) USER MOD Single : A 100 SER OG : rot -67:sc= 0.737 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.073 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 159:sc= -0.707 (180deg=-1.97!) USER MOD Single : A 113 TYR OH : rot 144:sc= 1.02 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 35 N PRO A 3 102.837 -5.783 13.632 1.00 0.00 N ATOM 36 CA PRO A 3 102.860 -6.710 12.461 1.00 0.00 C ATOM 37 C PRO A 3 101.715 -7.730 12.513 1.00 0.00 C ATOM 38 O PRO A 3 101.917 -8.887 12.821 1.00 0.00 O ATOM 39 CB PRO A 3 104.214 -7.418 12.577 1.00 0.00 C ATOM 40 CG PRO A 3 104.611 -7.295 14.010 1.00 0.00 C ATOM 41 CD PRO A 3 103.981 -6.004 14.529 1.00 0.00 C ATOM 0 HA PRO A 3 102.731 -6.176 11.519 1.00 0.00 H new ATOM 0 HB2 PRO A 3 104.136 -8.464 12.281 1.00 0.00 H new ATOM 0 HB3 PRO A 3 104.955 -6.956 11.924 1.00 0.00 H new ATOM 0 HG2 PRO A 3 104.262 -8.154 14.584 1.00 0.00 H new ATOM 0 HG3 PRO A 3 105.696 -7.264 14.110 1.00 0.00 H new ATOM 0 HD2 PRO A 3 103.662 -6.104 15.566 1.00 0.00 H new ATOM 0 HD3 PRO A 3 104.685 -5.173 14.491 1.00 0.00 H new ATOM 49 N GLU A 4 100.516 -7.306 12.219 1.00 0.00 N ATOM 50 CA GLU A 4 99.363 -8.250 12.260 1.00 0.00 C ATOM 51 C GLU A 4 99.280 -9.032 10.947 1.00 0.00 C ATOM 52 O GLU A 4 99.119 -10.236 10.941 1.00 0.00 O ATOM 53 CB GLU A 4 98.069 -7.464 12.470 1.00 0.00 C ATOM 54 CG GLU A 4 98.253 -6.469 13.616 1.00 0.00 C ATOM 55 CD GLU A 4 98.893 -7.178 14.810 1.00 0.00 C ATOM 56 OE1 GLU A 4 98.162 -7.781 15.579 1.00 0.00 O ATOM 57 OE2 GLU A 4 100.105 -7.107 14.938 1.00 0.00 O ATOM 0 H GLU A 4 100.285 -6.349 11.953 1.00 0.00 H new ATOM 0 HA GLU A 4 99.503 -8.951 13.083 1.00 0.00 H new ATOM 0 HB2 GLU A 4 97.801 -6.935 11.556 1.00 0.00 H new ATOM 0 HB3 GLU A 4 97.250 -8.147 12.696 1.00 0.00 H new ATOM 0 HG2 GLU A 4 98.881 -5.639 13.293 1.00 0.00 H new ATOM 0 HG3 GLU A 4 97.290 -6.047 13.904 1.00 0.00 H new ATOM 64 N PHE A 5 99.390 -8.360 9.836 1.00 0.00 N ATOM 65 CA PHE A 5 99.316 -9.074 8.527 1.00 0.00 C ATOM 66 C PHE A 5 100.516 -10.013 8.402 1.00 0.00 C ATOM 67 O PHE A 5 100.429 -11.071 7.809 1.00 0.00 O ATOM 68 CB PHE A 5 99.336 -8.061 7.378 1.00 0.00 C ATOM 69 CG PHE A 5 99.140 -8.784 6.064 1.00 0.00 C ATOM 70 CD1 PHE A 5 97.903 -8.736 5.406 1.00 0.00 C ATOM 71 CD2 PHE A 5 100.196 -9.511 5.506 1.00 0.00 C ATOM 72 CE1 PHE A 5 97.732 -9.411 4.195 1.00 0.00 C ATOM 73 CE2 PHE A 5 100.021 -10.186 4.291 1.00 0.00 C ATOM 74 CZ PHE A 5 98.789 -10.136 3.637 1.00 0.00 C ATOM 0 H PHE A 5 99.527 -7.351 9.775 1.00 0.00 H new ATOM 0 HA PHE A 5 98.390 -9.648 8.478 1.00 0.00 H new ATOM 0 HB2 PHE A 5 98.549 -7.320 7.519 1.00 0.00 H new ATOM 0 HB3 PHE A 5 100.283 -7.522 7.371 1.00 0.00 H new ATOM 0 HD1 PHE A 5 97.084 -8.178 5.835 1.00 0.00 H new ATOM 0 HD2 PHE A 5 101.149 -9.552 6.013 1.00 0.00 H new ATOM 0 HE1 PHE A 5 96.779 -9.373 3.688 1.00 0.00 H new ATOM 0 HE2 PHE A 5 100.839 -10.745 3.861 1.00 0.00 H new ATOM 0 HZ PHE A 5 98.652 -10.657 2.701 1.00 0.00 H new ATOM 84 N LEU A 6 101.634 -9.639 8.961 1.00 0.00 N ATOM 85 CA LEU A 6 102.836 -10.513 8.878 1.00 0.00 C ATOM 86 C LEU A 6 102.659 -11.707 9.817 1.00 0.00 C ATOM 87 O LEU A 6 103.076 -12.809 9.524 1.00 0.00 O ATOM 88 CB LEU A 6 104.076 -9.717 9.294 1.00 0.00 C ATOM 89 CG LEU A 6 104.507 -8.799 8.146 1.00 0.00 C ATOM 90 CD1 LEU A 6 105.232 -7.577 8.715 1.00 0.00 C ATOM 91 CD2 LEU A 6 105.450 -9.559 7.211 1.00 0.00 C ATOM 0 H LEU A 6 101.766 -8.766 9.471 1.00 0.00 H new ATOM 0 HA LEU A 6 102.959 -10.868 7.855 1.00 0.00 H new ATOM 0 HB2 LEU A 6 103.859 -9.126 10.184 1.00 0.00 H new ATOM 0 HB3 LEU A 6 104.887 -10.397 9.553 1.00 0.00 H new ATOM 0 HG LEU A 6 103.627 -8.475 7.591 1.00 0.00 H new ATOM 0 HD11 LEU A 6 105.539 -6.923 7.899 1.00 0.00 H new ATOM 0 HD12 LEU A 6 104.562 -7.034 9.382 1.00 0.00 H new ATOM 0 HD13 LEU A 6 106.112 -7.902 9.270 1.00 0.00 H new ATOM 0 HD21 LEU A 6 105.757 -8.906 6.394 1.00 0.00 H new ATOM 0 HD22 LEU A 6 106.330 -9.883 7.767 1.00 0.00 H new ATOM 0 HD23 LEU A 6 104.936 -10.430 6.805 1.00 0.00 H new ATOM 103 N LYS A 7 102.038 -11.492 10.944 1.00 0.00 N ATOM 104 CA LYS A 7 101.828 -12.610 11.905 1.00 0.00 C ATOM 105 C LYS A 7 100.593 -13.410 11.488 1.00 0.00 C ATOM 106 O LYS A 7 100.323 -14.471 12.014 1.00 0.00 O ATOM 107 CB LYS A 7 101.617 -12.041 13.309 1.00 0.00 C ATOM 108 CG LYS A 7 102.899 -11.347 13.781 1.00 0.00 C ATOM 109 CD LYS A 7 103.797 -12.361 14.493 1.00 0.00 C ATOM 110 CE LYS A 7 103.373 -12.482 15.957 1.00 0.00 C ATOM 111 NZ LYS A 7 103.780 -13.814 16.485 1.00 0.00 N ATOM 0 H LYS A 7 101.667 -10.589 11.241 1.00 0.00 H new ATOM 0 HA LYS A 7 102.702 -13.261 11.905 1.00 0.00 H new ATOM 0 HB2 LYS A 7 100.789 -11.333 13.304 1.00 0.00 H new ATOM 0 HB3 LYS A 7 101.349 -12.840 14.000 1.00 0.00 H new ATOM 0 HG2 LYS A 7 103.425 -10.914 12.930 1.00 0.00 H new ATOM 0 HG3 LYS A 7 102.654 -10.526 14.455 1.00 0.00 H new ATOM 0 HD2 LYS A 7 103.727 -13.332 14.002 1.00 0.00 H new ATOM 0 HD3 LYS A 7 104.839 -12.047 14.430 1.00 0.00 H new ATOM 0 HE2 LYS A 7 103.834 -11.689 16.547 1.00 0.00 H new ATOM 0 HE3 LYS A 7 102.294 -12.359 16.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 103.491 -13.896 17.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 103.321 -14.563 15.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 104.813 -13.915 16.415 1.00 0.00 H new ATOM 125 N ALA A 8 99.841 -12.908 10.547 1.00 0.00 N ATOM 126 CA ALA A 8 98.623 -13.639 10.098 1.00 0.00 C ATOM 127 C ALA A 8 98.957 -15.118 9.898 1.00 0.00 C ATOM 128 O ALA A 8 100.099 -15.522 9.979 1.00 0.00 O ATOM 129 CB ALA A 8 98.132 -13.044 8.777 1.00 0.00 C ATOM 0 H ALA A 8 100.017 -12.024 10.070 1.00 0.00 H new ATOM 0 HA ALA A 8 97.843 -13.544 10.854 1.00 0.00 H new ATOM 0 HB1 ALA A 8 97.241 -13.578 8.447 1.00 0.00 H new ATOM 0 HB2 ALA A 8 97.892 -11.990 8.919 1.00 0.00 H new ATOM 0 HB3 ALA A 8 98.913 -13.140 8.022 1.00 0.00 H new ATOM 135 N GLY A 9 97.966 -15.929 9.638 1.00 0.00 N ATOM 136 CA GLY A 9 98.222 -17.385 9.434 1.00 0.00 C ATOM 137 C GLY A 9 97.540 -18.182 10.547 1.00 0.00 C ATOM 138 O GLY A 9 98.020 -19.217 10.965 1.00 0.00 O ATOM 0 H GLY A 9 96.989 -15.646 9.558 1.00 0.00 H new ATOM 0 HA2 GLY A 9 97.843 -17.699 8.462 1.00 0.00 H new ATOM 0 HA3 GLY A 9 99.294 -17.581 9.436 1.00 0.00 H new ATOM 142 N LYS A 10 96.425 -17.708 11.030 1.00 0.00 N ATOM 143 CA LYS A 10 95.714 -18.435 12.115 1.00 0.00 C ATOM 144 C LYS A 10 94.210 -18.172 12.003 1.00 0.00 C ATOM 145 O LYS A 10 93.513 -18.069 12.993 1.00 0.00 O ATOM 146 CB LYS A 10 96.219 -17.945 13.471 1.00 0.00 C ATOM 147 CG LYS A 10 95.729 -16.515 13.715 1.00 0.00 C ATOM 148 CD LYS A 10 96.715 -15.786 14.630 1.00 0.00 C ATOM 149 CE LYS A 10 96.019 -14.589 15.281 1.00 0.00 C ATOM 150 NZ LYS A 10 97.038 -13.576 15.673 1.00 0.00 N ATOM 0 H LYS A 10 95.976 -16.847 10.718 1.00 0.00 H new ATOM 0 HA LYS A 10 95.903 -19.504 12.023 1.00 0.00 H new ATOM 0 HB2 LYS A 10 95.861 -18.603 14.263 1.00 0.00 H new ATOM 0 HB3 LYS A 10 97.308 -17.977 13.498 1.00 0.00 H new ATOM 0 HG2 LYS A 10 95.636 -15.985 12.767 1.00 0.00 H new ATOM 0 HG3 LYS A 10 94.739 -16.531 14.170 1.00 0.00 H new ATOM 0 HD2 LYS A 10 97.086 -16.466 15.397 1.00 0.00 H new ATOM 0 HD3 LYS A 10 97.579 -15.450 14.057 1.00 0.00 H new ATOM 0 HE2 LYS A 10 95.302 -14.150 14.587 1.00 0.00 H new ATOM 0 HE3 LYS A 10 95.457 -14.913 16.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 96.566 -12.762 16.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 97.706 -13.999 16.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 97.555 -13.259 14.828 1.00 0.00 H new ATOM 164 N GLU A 11 93.706 -18.061 10.804 1.00 0.00 N ATOM 165 CA GLU A 11 92.249 -17.804 10.630 1.00 0.00 C ATOM 166 C GLU A 11 91.804 -18.319 9.255 1.00 0.00 C ATOM 167 O GLU A 11 92.240 -17.823 8.235 1.00 0.00 O ATOM 168 CB GLU A 11 91.986 -16.299 10.718 1.00 0.00 C ATOM 169 CG GLU A 11 92.149 -15.836 12.167 1.00 0.00 C ATOM 170 CD GLU A 11 91.602 -14.415 12.314 1.00 0.00 C ATOM 171 OE1 GLU A 11 90.464 -14.281 12.735 1.00 0.00 O ATOM 172 OE2 GLU A 11 92.329 -13.486 12.005 1.00 0.00 O ATOM 0 H GLU A 11 94.240 -18.137 9.938 1.00 0.00 H new ATOM 0 HA GLU A 11 91.690 -18.319 11.412 1.00 0.00 H new ATOM 0 HB2 GLU A 11 92.679 -15.760 10.073 1.00 0.00 H new ATOM 0 HB3 GLU A 11 90.980 -16.074 10.364 1.00 0.00 H new ATOM 0 HG2 GLU A 11 91.619 -16.512 12.838 1.00 0.00 H new ATOM 0 HG3 GLU A 11 93.201 -15.863 12.452 1.00 0.00 H new ATOM 179 N PRO A 12 90.945 -19.309 9.221 1.00 0.00 N ATOM 180 CA PRO A 12 90.447 -19.891 7.944 1.00 0.00 C ATOM 181 C PRO A 12 89.369 -19.022 7.289 1.00 0.00 C ATOM 182 O PRO A 12 88.188 -19.273 7.425 1.00 0.00 O ATOM 183 CB PRO A 12 89.863 -21.239 8.366 1.00 0.00 C ATOM 184 CG PRO A 12 89.446 -21.060 9.789 1.00 0.00 C ATOM 185 CD PRO A 12 90.355 -19.984 10.391 1.00 0.00 C ATOM 0 HA PRO A 12 91.239 -19.971 7.200 1.00 0.00 H new ATOM 0 HB2 PRO A 12 89.015 -21.514 7.739 1.00 0.00 H new ATOM 0 HB3 PRO A 12 90.601 -22.035 8.270 1.00 0.00 H new ATOM 0 HG2 PRO A 12 88.400 -20.759 9.849 1.00 0.00 H new ATOM 0 HG3 PRO A 12 89.540 -21.996 10.339 1.00 0.00 H new ATOM 0 HD2 PRO A 12 89.790 -19.287 11.010 1.00 0.00 H new ATOM 0 HD3 PRO A 12 91.124 -20.423 11.027 1.00 0.00 H new ATOM 193 N GLY A 13 89.765 -18.001 6.578 1.00 0.00 N ATOM 194 CA GLY A 13 88.764 -17.120 5.917 1.00 0.00 C ATOM 195 C GLY A 13 89.480 -15.947 5.250 1.00 0.00 C ATOM 196 O GLY A 13 90.035 -16.074 4.176 1.00 0.00 O ATOM 0 H GLY A 13 90.739 -17.740 6.427 1.00 0.00 H new ATOM 0 HA2 GLY A 13 88.200 -17.685 5.175 1.00 0.00 H new ATOM 0 HA3 GLY A 13 88.047 -16.752 6.651 1.00 0.00 H new ATOM 200 N LEU A 14 89.475 -14.804 5.877 1.00 0.00 N ATOM 201 CA LEU A 14 90.156 -13.625 5.276 1.00 0.00 C ATOM 202 C LEU A 14 90.415 -12.573 6.358 1.00 0.00 C ATOM 203 O LEU A 14 89.630 -12.398 7.269 1.00 0.00 O ATOM 204 CB LEU A 14 89.266 -13.026 4.184 1.00 0.00 C ATOM 205 CG LEU A 14 89.943 -11.785 3.585 1.00 0.00 C ATOM 206 CD1 LEU A 14 89.739 -11.770 2.069 1.00 0.00 C ATOM 207 CD2 LEU A 14 89.326 -10.521 4.190 1.00 0.00 C ATOM 0 H LEU A 14 89.029 -14.636 6.779 1.00 0.00 H new ATOM 0 HA LEU A 14 91.106 -13.938 4.842 1.00 0.00 H new ATOM 0 HB2 LEU A 14 89.085 -13.765 3.404 1.00 0.00 H new ATOM 0 HB3 LEU A 14 88.295 -12.757 4.600 1.00 0.00 H new ATOM 0 HG LEU A 14 91.009 -11.814 3.809 1.00 0.00 H new ATOM 0 HD11 LEU A 14 90.220 -10.888 1.646 1.00 0.00 H new ATOM 0 HD12 LEU A 14 90.179 -12.667 1.634 1.00 0.00 H new ATOM 0 HD13 LEU A 14 88.672 -11.744 1.846 1.00 0.00 H new ATOM 0 HD21 LEU A 14 89.808 -9.641 3.764 1.00 0.00 H new ATOM 0 HD22 LEU A 14 88.259 -10.494 3.967 1.00 0.00 H new ATOM 0 HD23 LEU A 14 89.471 -10.526 5.270 1.00 0.00 H new ATOM 219 N GLN A 15 91.512 -11.869 6.263 1.00 0.00 N ATOM 220 CA GLN A 15 91.823 -10.827 7.283 1.00 0.00 C ATOM 221 C GLN A 15 92.271 -9.546 6.575 1.00 0.00 C ATOM 222 O GLN A 15 93.048 -9.581 5.640 1.00 0.00 O ATOM 223 CB GLN A 15 92.946 -11.325 8.197 1.00 0.00 C ATOM 224 CG GLN A 15 92.465 -12.546 8.992 1.00 0.00 C ATOM 225 CD GLN A 15 93.446 -13.705 8.805 1.00 0.00 C ATOM 226 OE1 GLN A 15 93.146 -14.668 8.127 1.00 0.00 O ATOM 227 NE2 GLN A 15 94.617 -13.653 9.381 1.00 0.00 N ATOM 0 H GLN A 15 92.206 -11.971 5.522 1.00 0.00 H new ATOM 0 HA GLN A 15 90.934 -10.623 7.881 1.00 0.00 H new ATOM 0 HB2 GLN A 15 93.821 -11.588 7.603 1.00 0.00 H new ATOM 0 HB3 GLN A 15 93.251 -10.532 8.880 1.00 0.00 H new ATOM 0 HG2 GLN A 15 92.383 -12.294 10.049 1.00 0.00 H new ATOM 0 HG3 GLN A 15 91.471 -12.841 8.657 1.00 0.00 H new ATOM 0 HE21 GLN A 15 94.870 -12.845 9.950 1.00 0.00 H new ATOM 0 HE22 GLN A 15 95.279 -14.420 9.262 1.00 0.00 H new ATOM 236 N ILE A 16 91.781 -8.415 7.010 1.00 0.00 N ATOM 237 CA ILE A 16 92.168 -7.130 6.360 1.00 0.00 C ATOM 238 C ILE A 16 93.118 -6.347 7.269 1.00 0.00 C ATOM 239 O ILE A 16 92.900 -6.229 8.459 1.00 0.00 O ATOM 240 CB ILE A 16 90.915 -6.290 6.102 1.00 0.00 C ATOM 241 CG1 ILE A 16 89.806 -7.182 5.540 1.00 0.00 C ATOM 242 CG2 ILE A 16 91.237 -5.184 5.095 1.00 0.00 C ATOM 243 CD1 ILE A 16 88.534 -6.353 5.350 1.00 0.00 C ATOM 0 H ILE A 16 91.128 -8.326 7.789 1.00 0.00 H new ATOM 0 HA ILE A 16 92.669 -7.348 5.417 1.00 0.00 H new ATOM 0 HB ILE A 16 90.582 -5.843 7.039 1.00 0.00 H new ATOM 0 HG12 ILE A 16 90.118 -7.613 4.589 1.00 0.00 H new ATOM 0 HG13 ILE A 16 89.614 -8.013 6.219 1.00 0.00 H new ATOM 0 HG21 ILE A 16 90.344 -4.587 4.912 1.00 0.00 H new ATOM 0 HG22 ILE A 16 92.025 -4.546 5.495 1.00 0.00 H new ATOM 0 HG23 ILE A 16 91.572 -5.631 4.159 1.00 0.00 H new ATOM 0 HD11 ILE A 16 87.743 -6.987 4.950 1.00 0.00 H new ATOM 0 HD12 ILE A 16 88.220 -5.943 6.310 1.00 0.00 H new ATOM 0 HD13 ILE A 16 88.732 -5.537 4.655 1.00 0.00 H new ATOM 255 N TRP A 17 94.166 -5.801 6.712 1.00 0.00 N ATOM 256 CA TRP A 17 95.127 -5.014 7.536 1.00 0.00 C ATOM 257 C TRP A 17 95.653 -3.843 6.703 1.00 0.00 C ATOM 258 O TRP A 17 96.381 -4.026 5.747 1.00 0.00 O ATOM 259 CB TRP A 17 96.295 -5.910 7.953 1.00 0.00 C ATOM 260 CG TRP A 17 95.980 -6.582 9.250 1.00 0.00 C ATOM 261 CD1 TRP A 17 95.783 -5.944 10.426 1.00 0.00 C ATOM 262 CD2 TRP A 17 95.825 -8.004 9.526 1.00 0.00 C ATOM 263 NE1 TRP A 17 95.511 -6.882 11.405 1.00 0.00 N ATOM 264 CE2 TRP A 17 95.527 -8.167 10.899 1.00 0.00 C ATOM 265 CE3 TRP A 17 95.914 -9.157 8.726 1.00 0.00 C ATOM 266 CZ2 TRP A 17 95.323 -9.430 11.459 1.00 0.00 C ATOM 267 CZ3 TRP A 17 95.710 -10.430 9.285 1.00 0.00 C ATOM 268 CH2 TRP A 17 95.415 -10.565 10.650 1.00 0.00 C ATOM 0 H TRP A 17 94.398 -5.867 5.721 1.00 0.00 H new ATOM 0 HA TRP A 17 94.627 -4.637 8.428 1.00 0.00 H new ATOM 0 HB2 TRP A 17 96.485 -6.657 7.183 1.00 0.00 H new ATOM 0 HB3 TRP A 17 97.204 -5.316 8.052 1.00 0.00 H new ATOM 0 HD1 TRP A 17 95.830 -4.876 10.576 1.00 0.00 H new ATOM 0 HE1 TRP A 17 95.322 -6.653 12.381 1.00 0.00 H new ATOM 0 HE3 TRP A 17 96.141 -9.063 7.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 95.096 -9.528 12.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 95.781 -11.309 8.661 1.00 0.00 H new ATOM 0 HH2 TRP A 17 95.259 -11.546 11.075 1.00 0.00 H new ATOM 279 N ARG A 18 95.289 -2.640 7.055 1.00 0.00 N ATOM 280 CA ARG A 18 95.767 -1.461 6.278 1.00 0.00 C ATOM 281 C ARG A 18 97.237 -1.193 6.610 1.00 0.00 C ATOM 282 O ARG A 18 97.711 -1.520 7.679 1.00 0.00 O ATOM 283 CB ARG A 18 94.925 -0.235 6.638 1.00 0.00 C ATOM 284 CG ARG A 18 95.602 1.028 6.098 1.00 0.00 C ATOM 285 CD ARG A 18 94.647 2.217 6.228 1.00 0.00 C ATOM 286 NE ARG A 18 95.016 3.260 5.230 1.00 0.00 N ATOM 287 CZ ARG A 18 94.245 4.301 5.059 1.00 0.00 C ATOM 288 NH1 ARG A 18 94.567 5.213 4.184 1.00 0.00 N ATOM 289 NH2 ARG A 18 93.154 4.428 5.764 1.00 0.00 N ATOM 0 H ARG A 18 94.682 -2.423 7.846 1.00 0.00 H new ATOM 0 HA ARG A 18 95.669 -1.664 5.212 1.00 0.00 H new ATOM 0 HB2 ARG A 18 93.924 -0.332 6.217 1.00 0.00 H new ATOM 0 HB3 ARG A 18 94.810 -0.165 7.720 1.00 0.00 H new ATOM 0 HG2 ARG A 18 96.521 1.225 6.650 1.00 0.00 H new ATOM 0 HG3 ARG A 18 95.881 0.885 5.054 1.00 0.00 H new ATOM 0 HD2 ARG A 18 93.619 1.891 6.067 1.00 0.00 H new ATOM 0 HD3 ARG A 18 94.697 2.629 7.236 1.00 0.00 H new ATOM 0 HE ARG A 18 95.870 3.161 4.681 1.00 0.00 H new ATOM 0 HH11 ARG A 18 95.420 5.113 3.634 1.00 0.00 H new ATOM 0 HH12 ARG A 18 93.966 6.026 4.050 1.00 0.00 H new ATOM 0 HH21 ARG A 18 92.903 3.715 6.449 1.00 0.00 H new ATOM 0 HH22 ARG A 18 92.552 5.241 5.630 1.00 0.00 H new ATOM 303 N VAL A 19 97.965 -0.603 5.700 1.00 0.00 N ATOM 304 CA VAL A 19 99.404 -0.318 5.964 1.00 0.00 C ATOM 305 C VAL A 19 99.531 0.899 6.880 1.00 0.00 C ATOM 306 O VAL A 19 98.754 1.830 6.804 1.00 0.00 O ATOM 307 CB VAL A 19 100.122 -0.037 4.642 1.00 0.00 C ATOM 308 CG1 VAL A 19 99.734 1.354 4.137 1.00 0.00 C ATOM 309 CG2 VAL A 19 101.636 -0.093 4.865 1.00 0.00 C ATOM 0 H VAL A 19 97.625 -0.306 4.785 1.00 0.00 H new ATOM 0 HA VAL A 19 99.857 -1.183 6.448 1.00 0.00 H new ATOM 0 HB VAL A 19 99.833 -0.785 3.904 1.00 0.00 H new ATOM 0 HG11 VAL A 19 100.245 1.555 3.195 1.00 0.00 H new ATOM 0 HG12 VAL A 19 98.656 1.397 3.981 1.00 0.00 H new ATOM 0 HG13 VAL A 19 100.024 2.103 4.874 1.00 0.00 H new ATOM 0 HG21 VAL A 19 102.150 0.107 3.925 1.00 0.00 H new ATOM 0 HG22 VAL A 19 101.923 0.657 5.602 1.00 0.00 H new ATOM 0 HG23 VAL A 19 101.914 -1.083 5.227 1.00 0.00 H new ATOM 319 N GLU A 20 100.510 0.899 7.743 1.00 0.00 N ATOM 320 CA GLU A 20 100.697 2.055 8.664 1.00 0.00 C ATOM 321 C GLU A 20 101.931 2.847 8.232 1.00 0.00 C ATOM 322 O GLU A 20 102.835 2.320 7.615 1.00 0.00 O ATOM 323 CB GLU A 20 100.895 1.546 10.095 1.00 0.00 C ATOM 324 CG GLU A 20 100.414 2.603 11.093 1.00 0.00 C ATOM 325 CD GLU A 20 100.309 1.980 12.485 1.00 0.00 C ATOM 326 OE1 GLU A 20 100.156 0.773 12.563 1.00 0.00 O ATOM 327 OE2 GLU A 20 100.382 2.722 13.452 1.00 0.00 O ATOM 0 H GLU A 20 101.190 0.146 7.850 1.00 0.00 H new ATOM 0 HA GLU A 20 99.816 2.696 8.628 1.00 0.00 H new ATOM 0 HB2 GLU A 20 100.343 0.618 10.240 1.00 0.00 H new ATOM 0 HB3 GLU A 20 101.947 1.321 10.268 1.00 0.00 H new ATOM 0 HG2 GLU A 20 101.107 3.444 11.111 1.00 0.00 H new ATOM 0 HG3 GLU A 20 99.445 2.995 10.785 1.00 0.00 H new ATOM 334 N LYS A 21 101.977 4.109 8.554 1.00 0.00 N ATOM 335 CA LYS A 21 103.154 4.933 8.163 1.00 0.00 C ATOM 336 C LYS A 21 104.442 4.180 8.506 1.00 0.00 C ATOM 337 O LYS A 21 105.522 4.564 8.105 1.00 0.00 O ATOM 338 CB LYS A 21 103.121 6.261 8.922 1.00 0.00 C ATOM 339 CG LYS A 21 102.247 7.263 8.164 1.00 0.00 C ATOM 340 CD LYS A 21 102.287 8.621 8.871 1.00 0.00 C ATOM 341 CE LYS A 21 101.147 8.707 9.888 1.00 0.00 C ATOM 342 NZ LYS A 21 101.365 7.700 10.965 1.00 0.00 N ATOM 0 H LYS A 21 101.251 4.605 9.071 1.00 0.00 H new ATOM 0 HA LYS A 21 103.122 5.126 7.091 1.00 0.00 H new ATOM 0 HB2 LYS A 21 102.728 6.108 9.927 1.00 0.00 H new ATOM 0 HB3 LYS A 21 104.132 6.654 9.031 1.00 0.00 H new ATOM 0 HG2 LYS A 21 102.601 7.366 7.138 1.00 0.00 H new ATOM 0 HG3 LYS A 21 101.221 6.899 8.112 1.00 0.00 H new ATOM 0 HD2 LYS A 21 103.246 8.752 9.373 1.00 0.00 H new ATOM 0 HD3 LYS A 21 102.197 9.425 8.140 1.00 0.00 H new ATOM 0 HE2 LYS A 21 101.102 9.709 10.316 1.00 0.00 H new ATOM 0 HE3 LYS A 21 100.191 8.527 9.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 100.841 7.984 11.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 101.027 6.770 10.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 102.380 7.642 11.186 1.00 0.00 H new ATOM 356 N PHE A 22 104.337 3.108 9.247 1.00 0.00 N ATOM 357 CA PHE A 22 105.558 2.333 9.612 1.00 0.00 C ATOM 358 C PHE A 22 105.148 1.002 10.250 1.00 0.00 C ATOM 359 O PHE A 22 105.863 0.448 11.060 1.00 0.00 O ATOM 360 CB PHE A 22 106.391 3.141 10.610 1.00 0.00 C ATOM 361 CG PHE A 22 107.383 4.005 9.866 1.00 0.00 C ATOM 362 CD1 PHE A 22 108.472 3.415 9.213 1.00 0.00 C ATOM 363 CD2 PHE A 22 107.212 5.394 9.828 1.00 0.00 C ATOM 364 CE1 PHE A 22 109.391 4.214 8.523 1.00 0.00 C ATOM 365 CE2 PHE A 22 108.132 6.193 9.137 1.00 0.00 C ATOM 366 CZ PHE A 22 109.220 5.603 8.485 1.00 0.00 C ATOM 0 H PHE A 22 103.461 2.737 9.614 1.00 0.00 H new ATOM 0 HA PHE A 22 106.148 2.139 8.716 1.00 0.00 H new ATOM 0 HB2 PHE A 22 105.739 3.764 11.222 1.00 0.00 H new ATOM 0 HB3 PHE A 22 106.917 2.468 11.288 1.00 0.00 H new ATOM 0 HD1 PHE A 22 108.603 2.343 9.242 1.00 0.00 H new ATOM 0 HD2 PHE A 22 106.372 5.849 10.331 1.00 0.00 H new ATOM 0 HE1 PHE A 22 110.232 3.759 8.020 1.00 0.00 H new ATOM 0 HE2 PHE A 22 108.001 7.265 9.108 1.00 0.00 H new ATOM 0 HZ PHE A 22 109.929 6.220 7.952 1.00 0.00 H new ATOM 376 N ASP A 23 104.003 0.486 9.893 1.00 0.00 N ATOM 377 CA ASP A 23 103.553 -0.808 10.483 1.00 0.00 C ATOM 378 C ASP A 23 102.237 -1.240 9.830 1.00 0.00 C ATOM 379 O ASP A 23 101.939 -0.876 8.711 1.00 0.00 O ATOM 380 CB ASP A 23 103.344 -0.637 11.990 1.00 0.00 C ATOM 381 CG ASP A 23 103.583 -1.974 12.696 1.00 0.00 C ATOM 382 OD1 ASP A 23 104.574 -2.079 13.401 1.00 0.00 O ATOM 383 OD2 ASP A 23 102.774 -2.868 12.519 1.00 0.00 O ATOM 0 H ASP A 23 103.361 0.903 9.220 1.00 0.00 H new ATOM 0 HA ASP A 23 104.312 -1.570 10.306 1.00 0.00 H new ATOM 0 HB2 ASP A 23 104.027 0.118 12.379 1.00 0.00 H new ATOM 0 HB3 ASP A 23 102.332 -0.285 12.189 1.00 0.00 H new ATOM 388 N LEU A 24 101.447 -2.015 10.525 1.00 0.00 N ATOM 389 CA LEU A 24 100.149 -2.477 9.952 1.00 0.00 C ATOM 390 C LEU A 24 98.995 -1.947 10.811 1.00 0.00 C ATOM 391 O LEU A 24 99.110 -1.830 12.015 1.00 0.00 O ATOM 392 CB LEU A 24 100.110 -4.008 9.946 1.00 0.00 C ATOM 393 CG LEU A 24 100.796 -4.546 8.686 1.00 0.00 C ATOM 394 CD1 LEU A 24 99.996 -4.141 7.444 1.00 0.00 C ATOM 395 CD2 LEU A 24 102.216 -3.978 8.593 1.00 0.00 C ATOM 0 H LEU A 24 101.646 -2.349 11.468 1.00 0.00 H new ATOM 0 HA LEU A 24 100.050 -2.104 8.933 1.00 0.00 H new ATOM 0 HB2 LEU A 24 100.608 -4.396 10.835 1.00 0.00 H new ATOM 0 HB3 LEU A 24 99.077 -4.354 9.983 1.00 0.00 H new ATOM 0 HG LEU A 24 100.844 -5.634 8.740 1.00 0.00 H new ATOM 0 HD11 LEU A 24 100.489 -4.527 6.552 1.00 0.00 H new ATOM 0 HD12 LEU A 24 98.989 -4.554 7.509 1.00 0.00 H new ATOM 0 HD13 LEU A 24 99.939 -3.054 7.386 1.00 0.00 H new ATOM 0 HD21 LEU A 24 102.703 -4.361 7.696 1.00 0.00 H new ATOM 0 HD22 LEU A 24 102.170 -2.890 8.544 1.00 0.00 H new ATOM 0 HD23 LEU A 24 102.786 -4.278 9.472 1.00 0.00 H new ATOM 407 N VAL A 25 97.880 -1.637 10.201 1.00 0.00 N ATOM 408 CA VAL A 25 96.715 -1.126 10.982 1.00 0.00 C ATOM 409 C VAL A 25 95.492 -2.003 10.688 1.00 0.00 C ATOM 410 O VAL A 25 95.176 -2.267 9.545 1.00 0.00 O ATOM 411 CB VAL A 25 96.413 0.316 10.564 1.00 0.00 C ATOM 412 CG1 VAL A 25 95.673 1.031 11.696 1.00 0.00 C ATOM 413 CG2 VAL A 25 97.722 1.048 10.275 1.00 0.00 C ATOM 0 H VAL A 25 97.726 -1.716 9.196 1.00 0.00 H new ATOM 0 HA VAL A 25 96.946 -1.155 12.047 1.00 0.00 H new ATOM 0 HB VAL A 25 95.792 0.311 9.668 1.00 0.00 H new ATOM 0 HG11 VAL A 25 95.458 2.057 11.399 1.00 0.00 H new ATOM 0 HG12 VAL A 25 94.739 0.511 11.906 1.00 0.00 H new ATOM 0 HG13 VAL A 25 96.295 1.035 12.591 1.00 0.00 H new ATOM 0 HG21 VAL A 25 97.507 2.074 9.977 1.00 0.00 H new ATOM 0 HG22 VAL A 25 98.342 1.052 11.171 1.00 0.00 H new ATOM 0 HG23 VAL A 25 98.253 0.540 9.469 1.00 0.00 H new ATOM 423 N PRO A 26 94.807 -2.457 11.710 1.00 0.00 N ATOM 424 CA PRO A 26 93.603 -3.321 11.543 1.00 0.00 C ATOM 425 C PRO A 26 92.372 -2.534 11.090 1.00 0.00 C ATOM 426 O PRO A 26 92.099 -1.451 11.572 1.00 0.00 O ATOM 427 CB PRO A 26 93.381 -3.901 12.940 1.00 0.00 C ATOM 428 CG PRO A 26 93.961 -2.896 13.879 1.00 0.00 C ATOM 429 CD PRO A 26 95.101 -2.201 13.130 1.00 0.00 C ATOM 0 HA PRO A 26 93.754 -4.076 10.772 1.00 0.00 H new ATOM 0 HB2 PRO A 26 92.320 -4.058 13.137 1.00 0.00 H new ATOM 0 HB3 PRO A 26 93.871 -4.869 13.047 1.00 0.00 H new ATOM 0 HG2 PRO A 26 93.205 -2.174 14.189 1.00 0.00 H new ATOM 0 HG3 PRO A 26 94.330 -3.379 14.784 1.00 0.00 H new ATOM 0 HD2 PRO A 26 95.126 -1.133 13.345 1.00 0.00 H new ATOM 0 HD3 PRO A 26 96.071 -2.607 13.416 1.00 0.00 H new ATOM 437 N VAL A 27 91.625 -3.076 10.168 1.00 0.00 N ATOM 438 CA VAL A 27 90.404 -2.377 9.679 1.00 0.00 C ATOM 439 C VAL A 27 89.188 -3.286 9.897 1.00 0.00 C ATOM 440 O VAL A 27 88.965 -4.215 9.147 1.00 0.00 O ATOM 441 CB VAL A 27 90.558 -2.083 8.185 1.00 0.00 C ATOM 442 CG1 VAL A 27 89.205 -1.671 7.604 1.00 0.00 C ATOM 443 CG2 VAL A 27 91.561 -0.944 7.992 1.00 0.00 C ATOM 0 H VAL A 27 91.809 -3.979 9.730 1.00 0.00 H new ATOM 0 HA VAL A 27 90.267 -1.442 10.223 1.00 0.00 H new ATOM 0 HB VAL A 27 90.917 -2.976 7.674 1.00 0.00 H new ATOM 0 HG11 VAL A 27 89.315 -1.462 6.540 1.00 0.00 H new ATOM 0 HG12 VAL A 27 88.488 -2.480 7.743 1.00 0.00 H new ATOM 0 HG13 VAL A 27 88.847 -0.777 8.115 1.00 0.00 H new ATOM 0 HG21 VAL A 27 91.672 -0.733 6.928 1.00 0.00 H new ATOM 0 HG22 VAL A 27 91.201 -0.051 8.503 1.00 0.00 H new ATOM 0 HG23 VAL A 27 92.526 -1.235 8.407 1.00 0.00 H new ATOM 453 N PRO A 28 88.414 -3.029 10.920 1.00 0.00 N ATOM 454 CA PRO A 28 87.211 -3.849 11.239 1.00 0.00 C ATOM 455 C PRO A 28 86.015 -3.504 10.349 1.00 0.00 C ATOM 456 O PRO A 28 86.006 -2.505 9.656 1.00 0.00 O ATOM 457 CB PRO A 28 86.916 -3.501 12.697 1.00 0.00 C ATOM 458 CG PRO A 28 87.465 -2.125 12.902 1.00 0.00 C ATOM 459 CD PRO A 28 88.596 -1.933 11.886 1.00 0.00 C ATOM 0 HA PRO A 28 87.388 -4.911 11.071 1.00 0.00 H new ATOM 0 HB2 PRO A 28 85.845 -3.529 12.898 1.00 0.00 H new ATOM 0 HB3 PRO A 28 87.386 -4.215 13.373 1.00 0.00 H new ATOM 0 HG2 PRO A 28 86.687 -1.375 12.758 1.00 0.00 H new ATOM 0 HG3 PRO A 28 87.838 -2.007 13.920 1.00 0.00 H new ATOM 0 HD2 PRO A 28 88.531 -0.960 11.399 1.00 0.00 H new ATOM 0 HD3 PRO A 28 89.573 -1.985 12.366 1.00 0.00 H new ATOM 467 N THR A 29 85.002 -4.329 10.361 1.00 0.00 N ATOM 468 CA THR A 29 83.807 -4.057 9.520 1.00 0.00 C ATOM 469 C THR A 29 83.220 -2.696 9.900 1.00 0.00 C ATOM 470 O THR A 29 82.453 -2.111 9.160 1.00 0.00 O ATOM 471 CB THR A 29 82.764 -5.152 9.757 1.00 0.00 C ATOM 472 OG1 THR A 29 82.876 -5.629 11.089 1.00 0.00 O ATOM 473 CG2 THR A 29 82.997 -6.303 8.778 1.00 0.00 C ATOM 0 H THR A 29 84.953 -5.181 10.920 1.00 0.00 H new ATOM 0 HA THR A 29 84.091 -4.047 8.468 1.00 0.00 H new ATOM 0 HB THR A 29 81.766 -4.743 9.600 1.00 0.00 H new ATOM 0 HG1 THR A 29 82.208 -6.329 11.243 1.00 0.00 H new ATOM 0 HG21 THR A 29 82.253 -7.082 8.948 1.00 0.00 H new ATOM 0 HG22 THR A 29 82.909 -5.935 7.756 1.00 0.00 H new ATOM 0 HG23 THR A 29 83.995 -6.714 8.931 1.00 0.00 H new ATOM 481 N ASN A 30 83.573 -2.186 11.047 1.00 0.00 N ATOM 482 CA ASN A 30 83.036 -0.863 11.470 1.00 0.00 C ATOM 483 C ASN A 30 83.099 0.109 10.293 1.00 0.00 C ATOM 484 O ASN A 30 82.281 0.999 10.164 1.00 0.00 O ATOM 485 CB ASN A 30 83.873 -0.318 12.629 1.00 0.00 C ATOM 486 CG ASN A 30 84.119 -1.431 13.651 1.00 0.00 C ATOM 487 OD1 ASN A 30 83.560 -2.597 13.473 1.00 0.00 O flip ATOM 488 ND2 ASN A 30 84.825 -1.237 14.620 1.00 0.00 N flip ATOM 0 H ASN A 30 84.210 -2.628 11.710 1.00 0.00 H new ATOM 0 HA ASN A 30 82.001 -0.976 11.794 1.00 0.00 H new ATOM 0 HB2 ASN A 30 84.823 0.064 12.257 1.00 0.00 H new ATOM 0 HB3 ASN A 30 83.357 0.517 13.103 1.00 0.00 H new ATOM 0 HD21 ASN A 30 85.262 -0.326 14.759 1.00 0.00 H new ATOM 0 HD22 ASN A 30 84.981 -1.985 15.295 1.00 0.00 H new ATOM 495 N LEU A 31 84.067 -0.051 9.432 1.00 0.00 N ATOM 496 CA LEU A 31 84.182 0.864 8.263 1.00 0.00 C ATOM 497 C LEU A 31 85.045 0.214 7.177 1.00 0.00 C ATOM 498 O LEU A 31 85.519 0.874 6.272 1.00 0.00 O ATOM 499 CB LEU A 31 84.825 2.181 8.708 1.00 0.00 C ATOM 500 CG LEU A 31 86.155 1.898 9.421 1.00 0.00 C ATOM 501 CD1 LEU A 31 87.317 2.076 8.441 1.00 0.00 C ATOM 502 CD2 LEU A 31 86.326 2.872 10.589 1.00 0.00 C ATOM 0 H LEU A 31 84.782 -0.776 9.488 1.00 0.00 H new ATOM 0 HA LEU A 31 83.188 1.060 7.861 1.00 0.00 H new ATOM 0 HB2 LEU A 31 84.995 2.823 7.844 1.00 0.00 H new ATOM 0 HB3 LEU A 31 84.151 2.717 9.376 1.00 0.00 H new ATOM 0 HG LEU A 31 86.150 0.874 9.794 1.00 0.00 H new ATOM 0 HD11 LEU A 31 88.258 1.874 8.952 1.00 0.00 H new ATOM 0 HD12 LEU A 31 87.200 1.382 7.608 1.00 0.00 H new ATOM 0 HD13 LEU A 31 87.321 3.099 8.064 1.00 0.00 H new ATOM 0 HD21 LEU A 31 87.270 2.671 11.095 1.00 0.00 H new ATOM 0 HD22 LEU A 31 86.327 3.895 10.213 1.00 0.00 H new ATOM 0 HD23 LEU A 31 85.503 2.745 11.292 1.00 0.00 H new ATOM 514 N TYR A 32 85.253 -1.073 7.251 1.00 0.00 N ATOM 515 CA TYR A 32 86.084 -1.753 6.218 1.00 0.00 C ATOM 516 C TYR A 32 85.494 -1.482 4.830 1.00 0.00 C ATOM 517 O TYR A 32 84.348 -1.103 4.696 1.00 0.00 O ATOM 518 CB TYR A 32 86.108 -3.261 6.489 1.00 0.00 C ATOM 519 CG TYR A 32 84.903 -3.917 5.854 1.00 0.00 C ATOM 520 CD1 TYR A 32 85.069 -5.047 5.045 1.00 0.00 C ATOM 521 CD2 TYR A 32 83.623 -3.395 6.074 1.00 0.00 C ATOM 522 CE1 TYR A 32 83.955 -5.654 4.455 1.00 0.00 C ATOM 523 CE2 TYR A 32 82.509 -4.003 5.485 1.00 0.00 C ATOM 524 CZ TYR A 32 82.674 -5.133 4.675 1.00 0.00 C ATOM 525 OH TYR A 32 81.575 -5.732 4.094 1.00 0.00 O ATOM 0 H TYR A 32 84.884 -1.682 7.981 1.00 0.00 H new ATOM 0 HA TYR A 32 87.103 -1.367 6.257 1.00 0.00 H new ATOM 0 HB2 TYR A 32 87.023 -3.697 6.089 1.00 0.00 H new ATOM 0 HB3 TYR A 32 86.110 -3.446 7.563 1.00 0.00 H new ATOM 0 HD1 TYR A 32 86.057 -5.450 4.876 1.00 0.00 H new ATOM 0 HD2 TYR A 32 83.495 -2.523 6.698 1.00 0.00 H new ATOM 0 HE1 TYR A 32 84.083 -6.525 3.829 1.00 0.00 H new ATOM 0 HE2 TYR A 32 81.521 -3.600 5.655 1.00 0.00 H new ATOM 0 HH TYR A 32 80.764 -5.245 4.350 1.00 0.00 H new ATOM 535 N GLY A 33 86.271 -1.673 3.799 1.00 0.00 N ATOM 536 CA GLY A 33 85.756 -1.425 2.423 1.00 0.00 C ATOM 537 C GLY A 33 86.187 -0.033 1.958 1.00 0.00 C ATOM 538 O GLY A 33 86.003 0.336 0.816 1.00 0.00 O ATOM 0 H GLY A 33 87.239 -1.990 3.850 1.00 0.00 H new ATOM 0 HA2 GLY A 33 86.138 -2.183 1.739 1.00 0.00 H new ATOM 0 HA3 GLY A 33 84.669 -1.503 2.411 1.00 0.00 H new ATOM 542 N ASP A 34 86.761 0.743 2.836 1.00 0.00 N ATOM 543 CA ASP A 34 87.204 2.112 2.445 1.00 0.00 C ATOM 544 C ASP A 34 88.669 2.065 2.004 1.00 0.00 C ATOM 545 O ASP A 34 89.572 2.083 2.815 1.00 0.00 O ATOM 546 CB ASP A 34 87.062 3.055 3.641 1.00 0.00 C ATOM 547 CG ASP A 34 87.787 2.461 4.850 1.00 0.00 C ATOM 548 OD1 ASP A 34 88.610 3.156 5.422 1.00 0.00 O ATOM 549 OD2 ASP A 34 87.507 1.321 5.183 1.00 0.00 O ATOM 0 H ASP A 34 86.943 0.489 3.807 1.00 0.00 H new ATOM 0 HA ASP A 34 86.587 2.474 1.622 1.00 0.00 H new ATOM 0 HB2 ASP A 34 87.479 4.032 3.398 1.00 0.00 H new ATOM 0 HB3 ASP A 34 86.008 3.207 3.874 1.00 0.00 H new ATOM 554 N PHE A 35 88.910 2.007 0.723 1.00 0.00 N ATOM 555 CA PHE A 35 90.315 1.962 0.231 1.00 0.00 C ATOM 556 C PHE A 35 90.825 3.387 0.011 1.00 0.00 C ATOM 557 O PHE A 35 90.153 4.214 -0.572 1.00 0.00 O ATOM 558 CB PHE A 35 90.370 1.189 -1.088 1.00 0.00 C ATOM 559 CG PHE A 35 90.134 -0.278 -0.821 1.00 0.00 C ATOM 560 CD1 PHE A 35 88.840 -0.743 -0.557 1.00 0.00 C ATOM 561 CD2 PHE A 35 91.209 -1.175 -0.837 1.00 0.00 C ATOM 562 CE1 PHE A 35 88.622 -2.103 -0.307 1.00 0.00 C ATOM 563 CE2 PHE A 35 90.992 -2.535 -0.588 1.00 0.00 C ATOM 564 CZ PHE A 35 89.698 -2.999 -0.323 1.00 0.00 C ATOM 0 H PHE A 35 88.195 1.989 -0.004 1.00 0.00 H new ATOM 0 HA PHE A 35 90.942 1.463 0.970 1.00 0.00 H new ATOM 0 HB2 PHE A 35 89.616 1.570 -1.777 1.00 0.00 H new ATOM 0 HB3 PHE A 35 91.339 1.331 -1.565 1.00 0.00 H new ATOM 0 HD1 PHE A 35 88.010 -0.052 -0.546 1.00 0.00 H new ATOM 0 HD2 PHE A 35 92.207 -0.817 -1.042 1.00 0.00 H new ATOM 0 HE1 PHE A 35 87.624 -2.461 -0.102 1.00 0.00 H new ATOM 0 HE2 PHE A 35 91.822 -3.226 -0.600 1.00 0.00 H new ATOM 0 HZ PHE A 35 89.530 -4.048 -0.131 1.00 0.00 H new ATOM 574 N PHE A 36 92.009 3.681 0.474 1.00 0.00 N ATOM 575 CA PHE A 36 92.561 5.052 0.293 1.00 0.00 C ATOM 576 C PHE A 36 93.473 5.078 -0.935 1.00 0.00 C ATOM 577 O PHE A 36 94.380 4.280 -1.065 1.00 0.00 O ATOM 578 CB PHE A 36 93.365 5.446 1.535 1.00 0.00 C ATOM 579 CG PHE A 36 92.430 5.996 2.586 1.00 0.00 C ATOM 580 CD1 PHE A 36 91.817 5.130 3.499 1.00 0.00 C ATOM 581 CD2 PHE A 36 92.180 7.373 2.649 1.00 0.00 C ATOM 582 CE1 PHE A 36 90.951 5.642 4.475 1.00 0.00 C ATOM 583 CE2 PHE A 36 91.315 7.882 3.624 1.00 0.00 C ATOM 584 CZ PHE A 36 90.700 7.017 4.537 1.00 0.00 C ATOM 0 H PHE A 36 92.618 3.030 0.970 1.00 0.00 H new ATOM 0 HA PHE A 36 91.742 5.757 0.151 1.00 0.00 H new ATOM 0 HB2 PHE A 36 93.899 4.580 1.925 1.00 0.00 H new ATOM 0 HB3 PHE A 36 94.115 6.192 1.274 1.00 0.00 H new ATOM 0 HD1 PHE A 36 92.011 4.069 3.451 1.00 0.00 H new ATOM 0 HD2 PHE A 36 92.655 8.041 1.946 1.00 0.00 H new ATOM 0 HE1 PHE A 36 90.477 4.975 5.180 1.00 0.00 H new ATOM 0 HE2 PHE A 36 91.122 8.943 3.672 1.00 0.00 H new ATOM 0 HZ PHE A 36 90.032 7.411 5.289 1.00 0.00 H new ATOM 594 N THR A 37 93.239 5.992 -1.838 1.00 0.00 N ATOM 595 CA THR A 37 94.089 6.073 -3.058 1.00 0.00 C ATOM 596 C THR A 37 95.496 6.538 -2.673 1.00 0.00 C ATOM 597 O THR A 37 96.387 6.596 -3.497 1.00 0.00 O ATOM 598 CB THR A 37 93.472 7.070 -4.041 1.00 0.00 C ATOM 599 OG1 THR A 37 93.202 8.291 -3.367 1.00 0.00 O ATOM 600 CG2 THR A 37 92.170 6.496 -4.602 1.00 0.00 C ATOM 0 H THR A 37 92.494 6.687 -1.782 1.00 0.00 H new ATOM 0 HA THR A 37 94.149 5.090 -3.525 1.00 0.00 H new ATOM 0 HB THR A 37 94.168 7.253 -4.860 1.00 0.00 H new ATOM 0 HG1 THR A 37 93.414 9.044 -3.957 1.00 0.00 H new ATOM 0 HG21 THR A 37 91.731 7.207 -5.302 1.00 0.00 H new ATOM 0 HG22 THR A 37 92.378 5.559 -5.119 1.00 0.00 H new ATOM 0 HG23 THR A 37 91.472 6.313 -3.785 1.00 0.00 H new ATOM 608 N GLY A 38 95.701 6.873 -1.427 1.00 0.00 N ATOM 609 CA GLY A 38 97.050 7.338 -0.989 1.00 0.00 C ATOM 610 C GLY A 38 97.607 6.379 0.066 1.00 0.00 C ATOM 611 O GLY A 38 98.155 6.794 1.067 1.00 0.00 O ATOM 0 H GLY A 38 94.993 6.845 -0.693 1.00 0.00 H new ATOM 0 HA2 GLY A 38 97.725 7.386 -1.844 1.00 0.00 H new ATOM 0 HA3 GLY A 38 96.983 8.346 -0.579 1.00 0.00 H new ATOM 615 N ASP A 39 97.473 5.100 -0.151 1.00 0.00 N ATOM 616 CA ASP A 39 97.999 4.117 0.841 1.00 0.00 C ATOM 617 C ASP A 39 97.989 2.716 0.226 1.00 0.00 C ATOM 618 O ASP A 39 97.799 2.549 -0.963 1.00 0.00 O ATOM 619 CB ASP A 39 97.116 4.136 2.095 1.00 0.00 C ATOM 620 CG ASP A 39 97.753 5.033 3.158 1.00 0.00 C ATOM 621 OD1 ASP A 39 98.828 4.696 3.624 1.00 0.00 O ATOM 622 OD2 ASP A 39 97.153 6.043 3.488 1.00 0.00 O ATOM 0 H ASP A 39 97.023 4.692 -0.970 1.00 0.00 H new ATOM 0 HA ASP A 39 99.020 4.384 1.113 1.00 0.00 H new ATOM 0 HB2 ASP A 39 96.120 4.502 1.845 1.00 0.00 H new ATOM 0 HB3 ASP A 39 96.996 3.124 2.483 1.00 0.00 H new ATOM 627 N ALA A 40 98.193 1.705 1.026 1.00 0.00 N ATOM 628 CA ALA A 40 98.196 0.314 0.490 1.00 0.00 C ATOM 629 C ALA A 40 97.415 -0.600 1.437 1.00 0.00 C ATOM 630 O ALA A 40 97.436 -0.426 2.640 1.00 0.00 O ATOM 631 CB ALA A 40 99.639 -0.182 0.375 1.00 0.00 C ATOM 0 H ALA A 40 98.358 1.783 2.030 1.00 0.00 H new ATOM 0 HA ALA A 40 97.727 0.301 -0.494 1.00 0.00 H new ATOM 0 HB1 ALA A 40 99.644 -1.199 -0.017 1.00 0.00 H new ATOM 0 HB2 ALA A 40 100.195 0.469 -0.299 1.00 0.00 H new ATOM 0 HB3 ALA A 40 100.107 -0.170 1.359 1.00 0.00 H new ATOM 637 N TYR A 41 96.727 -1.573 0.902 1.00 0.00 N ATOM 638 CA TYR A 41 95.942 -2.500 1.768 1.00 0.00 C ATOM 639 C TYR A 41 96.469 -3.928 1.596 1.00 0.00 C ATOM 640 O TYR A 41 96.720 -4.380 0.497 1.00 0.00 O ATOM 641 CB TYR A 41 94.463 -2.446 1.366 1.00 0.00 C ATOM 642 CG TYR A 41 93.701 -1.574 2.334 1.00 0.00 C ATOM 643 CD1 TYR A 41 92.518 -2.044 2.917 1.00 0.00 C ATOM 644 CD2 TYR A 41 94.176 -0.295 2.651 1.00 0.00 C ATOM 645 CE1 TYR A 41 91.809 -1.236 3.816 1.00 0.00 C ATOM 646 CE2 TYR A 41 93.469 0.513 3.550 1.00 0.00 C ATOM 647 CZ TYR A 41 92.285 0.041 4.131 1.00 0.00 C ATOM 648 OH TYR A 41 91.588 0.838 5.017 1.00 0.00 O ATOM 0 H TYR A 41 96.675 -1.766 -0.098 1.00 0.00 H new ATOM 0 HA TYR A 41 96.045 -2.199 2.811 1.00 0.00 H new ATOM 0 HB2 TYR A 41 94.366 -2.053 0.354 1.00 0.00 H new ATOM 0 HB3 TYR A 41 94.042 -3.451 1.359 1.00 0.00 H new ATOM 0 HD1 TYR A 41 92.151 -3.030 2.674 1.00 0.00 H new ATOM 0 HD2 TYR A 41 95.088 0.068 2.202 1.00 0.00 H new ATOM 0 HE1 TYR A 41 90.896 -1.599 4.265 1.00 0.00 H new ATOM 0 HE2 TYR A 41 93.836 1.499 3.795 1.00 0.00 H new ATOM 0 HH TYR A 41 90.892 1.331 4.535 1.00 0.00 H new ATOM 658 N VAL A 42 96.634 -4.638 2.677 1.00 0.00 N ATOM 659 CA VAL A 42 97.139 -6.039 2.591 1.00 0.00 C ATOM 660 C VAL A 42 96.052 -6.992 3.085 1.00 0.00 C ATOM 661 O VAL A 42 95.605 -6.899 4.214 1.00 0.00 O ATOM 662 CB VAL A 42 98.363 -6.185 3.487 1.00 0.00 C ATOM 663 CG1 VAL A 42 99.311 -7.235 2.902 1.00 0.00 C ATOM 664 CG2 VAL A 42 99.085 -4.840 3.590 1.00 0.00 C ATOM 0 H VAL A 42 96.440 -4.307 3.622 1.00 0.00 H new ATOM 0 HA VAL A 42 97.402 -6.273 1.559 1.00 0.00 H new ATOM 0 HB VAL A 42 98.046 -6.503 4.480 1.00 0.00 H new ATOM 0 HG11 VAL A 42 100.185 -7.336 3.546 1.00 0.00 H new ATOM 0 HG12 VAL A 42 98.796 -8.194 2.836 1.00 0.00 H new ATOM 0 HG13 VAL A 42 99.628 -6.924 1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 42 99.960 -4.945 4.231 1.00 0.00 H new ATOM 0 HG22 VAL A 42 99.399 -4.519 2.597 1.00 0.00 H new ATOM 0 HG23 VAL A 42 98.411 -4.097 4.016 1.00 0.00 H new ATOM 674 N ILE A 43 95.607 -7.897 2.254 1.00 0.00 N ATOM 675 CA ILE A 43 94.533 -8.835 2.693 1.00 0.00 C ATOM 676 C ILE A 43 94.980 -10.286 2.492 1.00 0.00 C ATOM 677 O ILE A 43 95.442 -10.669 1.437 1.00 0.00 O ATOM 678 CB ILE A 43 93.262 -8.566 1.881 1.00 0.00 C ATOM 679 CG1 ILE A 43 93.419 -7.256 1.096 1.00 0.00 C ATOM 680 CG2 ILE A 43 92.073 -8.445 2.833 1.00 0.00 C ATOM 681 CD1 ILE A 43 93.664 -6.093 2.065 1.00 0.00 C ATOM 0 H ILE A 43 95.938 -8.027 1.298 1.00 0.00 H new ATOM 0 HA ILE A 43 94.331 -8.676 3.752 1.00 0.00 H new ATOM 0 HB ILE A 43 93.095 -9.388 1.184 1.00 0.00 H new ATOM 0 HG12 ILE A 43 94.250 -7.339 0.396 1.00 0.00 H new ATOM 0 HG13 ILE A 43 92.523 -7.066 0.505 1.00 0.00 H new ATOM 0 HG21 ILE A 43 91.166 -8.253 2.260 1.00 0.00 H new ATOM 0 HG22 ILE A 43 91.959 -9.373 3.393 1.00 0.00 H new ATOM 0 HG23 ILE A 43 92.244 -7.622 3.527 1.00 0.00 H new ATOM 0 HD11 ILE A 43 93.774 -5.167 1.501 1.00 0.00 H new ATOM 0 HD12 ILE A 43 92.819 -6.004 2.747 1.00 0.00 H new ATOM 0 HD13 ILE A 43 94.573 -6.281 2.636 1.00 0.00 H new ATOM 693 N LEU A 44 94.840 -11.093 3.511 1.00 0.00 N ATOM 694 CA LEU A 44 95.252 -12.523 3.401 1.00 0.00 C ATOM 695 C LEU A 44 94.003 -13.397 3.271 1.00 0.00 C ATOM 696 O LEU A 44 93.148 -13.400 4.132 1.00 0.00 O ATOM 697 CB LEU A 44 96.038 -12.919 4.659 1.00 0.00 C ATOM 698 CG LEU A 44 96.014 -14.440 4.847 1.00 0.00 C ATOM 699 CD1 LEU A 44 96.512 -15.130 3.574 1.00 0.00 C ATOM 700 CD2 LEU A 44 96.923 -14.819 6.018 1.00 0.00 C ATOM 0 H LEU A 44 94.457 -10.822 4.417 1.00 0.00 H new ATOM 0 HA LEU A 44 95.883 -12.663 2.523 1.00 0.00 H new ATOM 0 HB2 LEU A 44 97.068 -12.573 4.576 1.00 0.00 H new ATOM 0 HB3 LEU A 44 95.607 -12.431 5.533 1.00 0.00 H new ATOM 0 HG LEU A 44 94.993 -14.761 5.053 1.00 0.00 H new ATOM 0 HD11 LEU A 44 96.492 -16.211 3.714 1.00 0.00 H new ATOM 0 HD12 LEU A 44 95.866 -14.861 2.738 1.00 0.00 H new ATOM 0 HD13 LEU A 44 97.532 -14.810 3.362 1.00 0.00 H new ATOM 0 HD21 LEU A 44 96.908 -15.900 6.155 1.00 0.00 H new ATOM 0 HD22 LEU A 44 97.942 -14.493 5.808 1.00 0.00 H new ATOM 0 HD23 LEU A 44 96.567 -14.334 6.927 1.00 0.00 H new ATOM 712 N LYS A 45 93.895 -14.140 2.204 1.00 0.00 N ATOM 713 CA LYS A 45 92.702 -15.017 2.024 1.00 0.00 C ATOM 714 C LYS A 45 93.100 -16.469 2.296 1.00 0.00 C ATOM 715 O LYS A 45 93.733 -17.110 1.481 1.00 0.00 O ATOM 716 CB LYS A 45 92.183 -14.877 0.588 1.00 0.00 C ATOM 717 CG LYS A 45 91.273 -16.060 0.241 1.00 0.00 C ATOM 718 CD LYS A 45 90.214 -16.234 1.333 1.00 0.00 C ATOM 719 CE LYS A 45 88.964 -16.882 0.736 1.00 0.00 C ATOM 720 NZ LYS A 45 88.113 -15.833 0.106 1.00 0.00 N ATOM 0 H LYS A 45 94.580 -14.178 1.449 1.00 0.00 H new ATOM 0 HA LYS A 45 91.916 -14.723 2.719 1.00 0.00 H new ATOM 0 HB2 LYS A 45 91.634 -13.942 0.481 1.00 0.00 H new ATOM 0 HB3 LYS A 45 93.021 -14.836 -0.108 1.00 0.00 H new ATOM 0 HG2 LYS A 45 90.792 -15.891 -0.722 1.00 0.00 H new ATOM 0 HG3 LYS A 45 91.864 -16.971 0.146 1.00 0.00 H new ATOM 0 HD2 LYS A 45 90.607 -16.853 2.140 1.00 0.00 H new ATOM 0 HD3 LYS A 45 89.962 -15.266 1.767 1.00 0.00 H new ATOM 0 HE2 LYS A 45 89.247 -17.629 -0.005 1.00 0.00 H new ATOM 0 HE3 LYS A 45 88.404 -17.401 1.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 87.145 -16.194 -0.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 88.097 -14.988 0.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 88.502 -15.583 -0.825 1.00 0.00 H new ATOM 734 N THR A 46 92.737 -16.991 3.437 1.00 0.00 N ATOM 735 CA THR A 46 93.100 -18.400 3.764 1.00 0.00 C ATOM 736 C THR A 46 91.826 -19.232 3.925 1.00 0.00 C ATOM 737 O THR A 46 90.852 -18.783 4.498 1.00 0.00 O ATOM 738 CB THR A 46 93.902 -18.428 5.071 1.00 0.00 C ATOM 739 OG1 THR A 46 95.196 -17.892 4.838 1.00 0.00 O ATOM 740 CG2 THR A 46 94.028 -19.869 5.577 1.00 0.00 C ATOM 0 H THR A 46 92.205 -16.502 4.157 1.00 0.00 H new ATOM 0 HA THR A 46 93.704 -18.818 2.958 1.00 0.00 H new ATOM 0 HB THR A 46 93.386 -17.831 5.823 1.00 0.00 H new ATOM 0 HG1 THR A 46 95.821 -18.621 4.641 1.00 0.00 H new ATOM 0 HG21 THR A 46 94.599 -19.880 6.505 1.00 0.00 H new ATOM 0 HG22 THR A 46 93.034 -20.280 5.757 1.00 0.00 H new ATOM 0 HG23 THR A 46 94.540 -20.474 4.829 1.00 0.00 H new ATOM 748 N VAL A 47 91.820 -20.438 3.421 1.00 0.00 N ATOM 749 CA VAL A 47 90.608 -21.289 3.541 1.00 0.00 C ATOM 750 C VAL A 47 91.006 -22.674 4.043 1.00 0.00 C ATOM 751 O VAL A 47 92.166 -23.023 4.078 1.00 0.00 O ATOM 752 CB VAL A 47 89.957 -21.434 2.173 1.00 0.00 C ATOM 753 CG1 VAL A 47 88.438 -21.537 2.331 1.00 0.00 C ATOM 754 CG2 VAL A 47 90.300 -20.218 1.310 1.00 0.00 C ATOM 0 H VAL A 47 92.605 -20.868 2.931 1.00 0.00 H new ATOM 0 HA VAL A 47 89.911 -20.827 4.240 1.00 0.00 H new ATOM 0 HB VAL A 47 90.331 -22.338 1.692 1.00 0.00 H new ATOM 0 HG11 VAL A 47 87.976 -21.641 1.349 1.00 0.00 H new ATOM 0 HG12 VAL A 47 88.194 -22.407 2.941 1.00 0.00 H new ATOM 0 HG13 VAL A 47 88.061 -20.637 2.816 1.00 0.00 H new ATOM 0 HG21 VAL A 47 89.833 -20.323 0.331 1.00 0.00 H new ATOM 0 HG22 VAL A 47 89.930 -19.313 1.793 1.00 0.00 H new ATOM 0 HG23 VAL A 47 91.381 -20.150 1.191 1.00 0.00 H new ATOM 764 N GLN A 48 90.044 -23.462 4.422 1.00 0.00 N ATOM 765 CA GLN A 48 90.340 -24.835 4.919 1.00 0.00 C ATOM 766 C GLN A 48 89.813 -25.857 3.908 1.00 0.00 C ATOM 767 O GLN A 48 88.696 -25.757 3.439 1.00 0.00 O ATOM 768 CB GLN A 48 89.644 -25.041 6.267 1.00 0.00 C ATOM 769 CG GLN A 48 90.493 -25.958 7.145 1.00 0.00 C ATOM 770 CD GLN A 48 90.790 -27.256 6.392 1.00 0.00 C ATOM 771 OE1 GLN A 48 89.862 -28.167 6.297 1.00 0.00 O flip ATOM 772 NE2 GLN A 48 91.878 -27.443 5.885 1.00 0.00 N flip ATOM 0 H GLN A 48 89.055 -23.213 4.410 1.00 0.00 H new ATOM 0 HA GLN A 48 91.415 -24.964 5.041 1.00 0.00 H new ATOM 0 HB2 GLN A 48 89.496 -24.081 6.762 1.00 0.00 H new ATOM 0 HB3 GLN A 48 88.657 -25.477 6.115 1.00 0.00 H new ATOM 0 HG2 GLN A 48 91.425 -25.460 7.414 1.00 0.00 H new ATOM 0 HG3 GLN A 48 89.968 -26.177 8.075 1.00 0.00 H new ATOM 0 HE21 GLN A 48 92.604 -26.731 5.959 1.00 0.00 H new ATOM 0 HE22 GLN A 48 92.065 -28.312 5.385 1.00 0.00 H new ATOM 781 N LEU A 49 90.603 -26.840 3.570 1.00 0.00 N ATOM 782 CA LEU A 49 90.141 -27.866 2.590 1.00 0.00 C ATOM 783 C LEU A 49 90.065 -29.232 3.276 1.00 0.00 C ATOM 784 O LEU A 49 91.063 -29.902 3.449 1.00 0.00 O ATOM 785 CB LEU A 49 91.127 -27.937 1.422 1.00 0.00 C ATOM 786 CG LEU A 49 91.675 -26.537 1.123 1.00 0.00 C ATOM 787 CD1 LEU A 49 92.990 -26.327 1.878 1.00 0.00 C ATOM 788 CD2 LEU A 49 91.929 -26.400 -0.381 1.00 0.00 C ATOM 0 H LEU A 49 91.548 -26.977 3.929 1.00 0.00 H new ATOM 0 HA LEU A 49 89.154 -27.592 2.217 1.00 0.00 H new ATOM 0 HB2 LEU A 49 91.946 -28.614 1.665 1.00 0.00 H new ATOM 0 HB3 LEU A 49 90.631 -28.340 0.539 1.00 0.00 H new ATOM 0 HG LEU A 49 90.949 -25.790 1.443 1.00 0.00 H new ATOM 0 HD11 LEU A 49 93.378 -25.331 1.664 1.00 0.00 H new ATOM 0 HD12 LEU A 49 92.814 -26.425 2.949 1.00 0.00 H new ATOM 0 HD13 LEU A 49 93.716 -27.075 1.559 1.00 0.00 H new ATOM 0 HD21 LEU A 49 92.319 -25.405 -0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 49 92.654 -27.150 -0.697 1.00 0.00 H new ATOM 0 HD23 LEU A 49 90.995 -26.548 -0.923 1.00 0.00 H new ATOM 800 N ARG A 50 88.883 -29.646 3.661 1.00 0.00 N ATOM 801 CA ARG A 50 88.718 -30.970 4.336 1.00 0.00 C ATOM 802 C ARG A 50 90.049 -31.426 4.940 1.00 0.00 C ATOM 803 O ARG A 50 90.687 -32.334 4.445 1.00 0.00 O ATOM 804 CB ARG A 50 88.243 -32.005 3.314 1.00 0.00 C ATOM 805 CG ARG A 50 87.700 -33.234 4.045 1.00 0.00 C ATOM 806 CD ARG A 50 86.895 -34.096 3.069 1.00 0.00 C ATOM 807 NE ARG A 50 86.130 -35.125 3.830 1.00 0.00 N ATOM 808 CZ ARG A 50 85.123 -34.765 4.579 1.00 0.00 C ATOM 809 NH1 ARG A 50 84.453 -35.666 5.246 1.00 0.00 N ATOM 810 NH2 ARG A 50 84.786 -33.507 4.663 1.00 0.00 N ATOM 0 H ARG A 50 88.019 -29.119 3.535 1.00 0.00 H new ATOM 0 HA ARG A 50 87.982 -30.872 5.134 1.00 0.00 H new ATOM 0 HB2 ARG A 50 87.468 -31.575 2.679 1.00 0.00 H new ATOM 0 HB3 ARG A 50 89.068 -32.292 2.661 1.00 0.00 H new ATOM 0 HG2 ARG A 50 88.522 -33.813 4.465 1.00 0.00 H new ATOM 0 HG3 ARG A 50 87.070 -32.925 4.879 1.00 0.00 H new ATOM 0 HD2 ARG A 50 86.212 -33.471 2.493 1.00 0.00 H new ATOM 0 HD3 ARG A 50 87.564 -34.578 2.356 1.00 0.00 H new ATOM 0 HE ARG A 50 86.393 -36.108 3.766 1.00 0.00 H new ATOM 0 HH11 ARG A 50 84.717 -36.649 5.181 1.00 0.00 H new ATOM 0 HH12 ARG A 50 83.666 -35.386 5.832 1.00 0.00 H new ATOM 0 HH21 ARG A 50 85.310 -32.803 4.143 1.00 0.00 H new ATOM 0 HH22 ARG A 50 83.999 -33.228 5.249 1.00 0.00 H new ATOM 824 N ASN A 51 90.473 -30.803 6.006 1.00 0.00 N ATOM 825 CA ASN A 51 91.763 -31.204 6.635 1.00 0.00 C ATOM 826 C ASN A 51 92.828 -31.368 5.549 1.00 0.00 C ATOM 827 O ASN A 51 93.492 -32.381 5.465 1.00 0.00 O ATOM 828 CB ASN A 51 91.581 -32.531 7.375 1.00 0.00 C ATOM 829 CG ASN A 51 90.288 -32.487 8.192 1.00 0.00 C ATOM 830 OD1 ASN A 51 89.224 -32.251 7.657 1.00 0.00 O ATOM 831 ND2 ASN A 51 90.337 -32.703 9.479 1.00 0.00 N ATOM 0 H ASN A 51 89.983 -30.036 6.467 1.00 0.00 H new ATOM 0 HA ASN A 51 92.077 -30.436 7.341 1.00 0.00 H new ATOM 0 HB2 ASN A 51 91.545 -33.355 6.662 1.00 0.00 H new ATOM 0 HB3 ASN A 51 92.432 -32.713 8.031 1.00 0.00 H new ATOM 0 HD21 ASN A 51 89.482 -32.673 10.034 1.00 0.00 H new ATOM 0 HD22 ASN A 51 91.231 -32.901 9.929 1.00 0.00 H new ATOM 838 N GLY A 52 92.998 -30.377 4.715 1.00 0.00 N ATOM 839 CA GLY A 52 94.021 -30.479 3.636 1.00 0.00 C ATOM 840 C GLY A 52 95.305 -29.781 4.089 1.00 0.00 C ATOM 841 O GLY A 52 96.236 -30.412 4.550 1.00 0.00 O ATOM 0 H GLY A 52 92.473 -29.503 4.735 1.00 0.00 H new ATOM 0 HA2 GLY A 52 94.223 -31.526 3.409 1.00 0.00 H new ATOM 0 HA3 GLY A 52 93.648 -30.020 2.720 1.00 0.00 H new ATOM 845 N ASN A 53 95.361 -28.484 3.962 1.00 0.00 N ATOM 846 CA ASN A 53 96.589 -27.751 4.389 1.00 0.00 C ATOM 847 C ASN A 53 96.289 -26.258 4.492 1.00 0.00 C ATOM 848 O ASN A 53 97.175 -25.428 4.457 1.00 0.00 O ATOM 849 CB ASN A 53 97.698 -27.982 3.362 1.00 0.00 C ATOM 850 CG ASN A 53 98.837 -28.783 4.000 1.00 0.00 C ATOM 851 OD1 ASN A 53 98.991 -29.959 3.732 1.00 0.00 O ATOM 852 ND2 ASN A 53 99.646 -28.194 4.837 1.00 0.00 N ATOM 0 H ASN A 53 94.614 -27.901 3.583 1.00 0.00 H new ATOM 0 HA ASN A 53 96.911 -28.119 5.363 1.00 0.00 H new ATOM 0 HB2 ASN A 53 97.302 -28.519 2.500 1.00 0.00 H new ATOM 0 HB3 ASN A 53 98.073 -27.026 2.997 1.00 0.00 H new ATOM 0 HD21 ASN A 53 100.407 -28.720 5.266 1.00 0.00 H new ATOM 0 HD22 ASN A 53 99.517 -27.208 5.062 1.00 0.00 H new ATOM 859 N LEU A 54 95.046 -25.916 4.621 1.00 0.00 N ATOM 860 CA LEU A 54 94.670 -24.490 4.730 1.00 0.00 C ATOM 861 C LEU A 54 95.258 -23.722 3.551 1.00 0.00 C ATOM 862 O LEU A 54 96.439 -23.448 3.498 1.00 0.00 O ATOM 863 CB LEU A 54 95.199 -23.925 6.046 1.00 0.00 C ATOM 864 CG LEU A 54 94.124 -24.072 7.123 1.00 0.00 C ATOM 865 CD1 LEU A 54 94.776 -24.039 8.506 1.00 0.00 C ATOM 866 CD2 LEU A 54 93.115 -22.924 7.002 1.00 0.00 C ATOM 0 H LEU A 54 94.265 -26.572 4.656 1.00 0.00 H new ATOM 0 HA LEU A 54 93.585 -24.390 4.713 1.00 0.00 H new ATOM 0 HB2 LEU A 54 96.105 -24.453 6.345 1.00 0.00 H new ATOM 0 HB3 LEU A 54 95.467 -22.876 5.924 1.00 0.00 H new ATOM 0 HG LEU A 54 93.607 -25.022 6.990 1.00 0.00 H new ATOM 0 HD11 LEU A 54 94.008 -24.144 9.273 1.00 0.00 H new ATOM 0 HD12 LEU A 54 95.489 -24.859 8.592 1.00 0.00 H new ATOM 0 HD13 LEU A 54 95.296 -23.091 8.641 1.00 0.00 H new ATOM 0 HD21 LEU A 54 92.349 -23.030 7.770 1.00 0.00 H new ATOM 0 HD22 LEU A 54 93.630 -21.972 7.132 1.00 0.00 H new ATOM 0 HD23 LEU A 54 92.648 -22.953 6.018 1.00 0.00 H new ATOM 878 N GLN A 55 94.436 -23.377 2.603 1.00 0.00 N ATOM 879 CA GLN A 55 94.941 -22.628 1.419 1.00 0.00 C ATOM 880 C GLN A 55 95.368 -21.230 1.859 1.00 0.00 C ATOM 881 O GLN A 55 94.829 -20.676 2.795 1.00 0.00 O ATOM 882 CB GLN A 55 93.830 -22.519 0.371 1.00 0.00 C ATOM 883 CG GLN A 55 94.450 -22.323 -1.013 1.00 0.00 C ATOM 884 CD GLN A 55 93.346 -22.047 -2.035 1.00 0.00 C ATOM 885 OE1 GLN A 55 92.180 -22.243 -1.753 1.00 0.00 O ATOM 886 NE2 GLN A 55 93.664 -21.597 -3.217 1.00 0.00 N ATOM 0 H GLN A 55 93.437 -23.580 2.595 1.00 0.00 H new ATOM 0 HA GLN A 55 95.793 -23.153 0.986 1.00 0.00 H new ATOM 0 HB2 GLN A 55 93.216 -23.420 0.382 1.00 0.00 H new ATOM 0 HB3 GLN A 55 93.173 -21.682 0.608 1.00 0.00 H new ATOM 0 HG2 GLN A 55 95.156 -21.493 -0.992 1.00 0.00 H new ATOM 0 HG3 GLN A 55 95.012 -23.212 -1.300 1.00 0.00 H new ATOM 0 HE21 GLN A 55 94.642 -21.432 -3.454 1.00 0.00 H new ATOM 0 HE22 GLN A 55 92.934 -21.410 -3.905 1.00 0.00 H new ATOM 895 N TYR A 56 96.339 -20.655 1.200 1.00 0.00 N ATOM 896 CA TYR A 56 96.804 -19.294 1.593 1.00 0.00 C ATOM 897 C TYR A 56 96.895 -18.398 0.359 1.00 0.00 C ATOM 898 O TYR A 56 97.699 -18.618 -0.526 1.00 0.00 O ATOM 899 CB TYR A 56 98.183 -19.397 2.247 1.00 0.00 C ATOM 900 CG TYR A 56 98.067 -20.139 3.559 1.00 0.00 C ATOM 901 CD1 TYR A 56 97.693 -19.453 4.719 1.00 0.00 C ATOM 902 CD2 TYR A 56 98.336 -21.511 3.612 1.00 0.00 C ATOM 903 CE1 TYR A 56 97.586 -20.140 5.935 1.00 0.00 C ATOM 904 CE2 TYR A 56 98.230 -22.198 4.826 1.00 0.00 C ATOM 905 CZ TYR A 56 97.854 -21.513 5.988 1.00 0.00 C ATOM 906 OH TYR A 56 97.749 -22.191 7.185 1.00 0.00 O ATOM 0 H TYR A 56 96.829 -21.069 0.407 1.00 0.00 H new ATOM 0 HA TYR A 56 96.093 -18.863 2.298 1.00 0.00 H new ATOM 0 HB2 TYR A 56 98.874 -19.917 1.583 1.00 0.00 H new ATOM 0 HB3 TYR A 56 98.592 -18.401 2.416 1.00 0.00 H new ATOM 0 HD1 TYR A 56 97.487 -18.394 4.677 1.00 0.00 H new ATOM 0 HD2 TYR A 56 98.625 -22.040 2.716 1.00 0.00 H new ATOM 0 HE1 TYR A 56 97.297 -19.611 6.831 1.00 0.00 H new ATOM 0 HE2 TYR A 56 98.438 -23.257 4.867 1.00 0.00 H new ATOM 0 HH TYR A 56 97.968 -23.136 7.046 1.00 0.00 H new ATOM 916 N ASP A 57 96.083 -17.380 0.304 1.00 0.00 N ATOM 917 CA ASP A 57 96.115 -16.447 -0.857 1.00 0.00 C ATOM 918 C ASP A 57 96.434 -15.045 -0.337 1.00 0.00 C ATOM 919 O ASP A 57 96.187 -14.736 0.814 1.00 0.00 O ATOM 920 CB ASP A 57 94.751 -16.446 -1.552 1.00 0.00 C ATOM 921 CG ASP A 57 94.770 -17.432 -2.723 1.00 0.00 C ATOM 922 OD1 ASP A 57 94.073 -17.186 -3.691 1.00 0.00 O ATOM 923 OD2 ASP A 57 95.483 -18.417 -2.630 1.00 0.00 O ATOM 0 H ASP A 57 95.393 -17.152 1.020 1.00 0.00 H new ATOM 0 HA ASP A 57 96.873 -16.761 -1.574 1.00 0.00 H new ATOM 0 HB2 ASP A 57 93.970 -16.723 -0.843 1.00 0.00 H new ATOM 0 HB3 ASP A 57 94.515 -15.444 -1.911 1.00 0.00 H new ATOM 928 N LEU A 58 96.988 -14.195 -1.155 1.00 0.00 N ATOM 929 CA LEU A 58 97.321 -12.825 -0.673 1.00 0.00 C ATOM 930 C LEU A 58 96.916 -11.786 -1.718 1.00 0.00 C ATOM 931 O LEU A 58 97.254 -11.892 -2.880 1.00 0.00 O ATOM 932 CB LEU A 58 98.829 -12.726 -0.424 1.00 0.00 C ATOM 933 CG LEU A 58 99.254 -13.784 0.599 1.00 0.00 C ATOM 934 CD1 LEU A 58 99.685 -15.060 -0.128 1.00 0.00 C ATOM 935 CD2 LEU A 58 100.426 -13.251 1.428 1.00 0.00 C ATOM 0 H LEU A 58 97.223 -14.387 -2.129 1.00 0.00 H new ATOM 0 HA LEU A 58 96.778 -12.633 0.252 1.00 0.00 H new ATOM 0 HB2 LEU A 58 99.372 -12.871 -1.358 1.00 0.00 H new ATOM 0 HB3 LEU A 58 99.082 -11.731 -0.059 1.00 0.00 H new ATOM 0 HG LEU A 58 98.414 -14.008 1.256 1.00 0.00 H new ATOM 0 HD11 LEU A 58 99.987 -15.811 0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 58 98.852 -15.442 -0.718 1.00 0.00 H new ATOM 0 HD13 LEU A 58 100.524 -14.837 -0.787 1.00 0.00 H new ATOM 0 HD21 LEU A 58 100.729 -14.004 2.156 1.00 0.00 H new ATOM 0 HD22 LEU A 58 101.265 -13.025 0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 58 100.120 -12.344 1.950 1.00 0.00 H new ATOM 947 N HIS A 59 96.201 -10.775 -1.308 1.00 0.00 N ATOM 948 CA HIS A 59 95.779 -9.717 -2.267 1.00 0.00 C ATOM 949 C HIS A 59 96.439 -8.398 -1.862 1.00 0.00 C ATOM 950 O HIS A 59 96.101 -7.808 -0.853 1.00 0.00 O ATOM 951 CB HIS A 59 94.257 -9.564 -2.226 1.00 0.00 C ATOM 952 CG HIS A 59 93.615 -10.925 -2.267 1.00 0.00 C ATOM 953 ND1 HIS A 59 92.676 -11.271 -3.229 1.00 0.00 N ATOM 954 CD2 HIS A 59 93.764 -12.036 -1.471 1.00 0.00 C ATOM 955 CE1 HIS A 59 92.301 -12.542 -2.991 1.00 0.00 C ATOM 956 NE2 HIS A 59 92.935 -13.052 -1.934 1.00 0.00 N ATOM 0 H HIS A 59 95.890 -10.636 -0.347 1.00 0.00 H new ATOM 0 HA HIS A 59 96.081 -9.989 -3.278 1.00 0.00 H new ATOM 0 HB2 HIS A 59 93.958 -9.036 -1.320 1.00 0.00 H new ATOM 0 HB3 HIS A 59 93.918 -8.965 -3.071 1.00 0.00 H new ATOM 0 HD1 HIS A 59 92.333 -10.672 -3.979 1.00 0.00 H new ATOM 0 HD2 HIS A 59 94.423 -12.108 -0.618 1.00 0.00 H new ATOM 0 HE1 HIS A 59 91.577 -13.082 -3.583 1.00 0.00 H new ATOM 964 N TYR A 60 97.381 -7.932 -2.634 1.00 0.00 N ATOM 965 CA TYR A 60 98.067 -6.655 -2.286 1.00 0.00 C ATOM 966 C TYR A 60 97.465 -5.516 -3.111 1.00 0.00 C ATOM 967 O TYR A 60 97.560 -5.496 -4.322 1.00 0.00 O ATOM 968 CB TYR A 60 99.563 -6.796 -2.591 1.00 0.00 C ATOM 969 CG TYR A 60 100.195 -5.433 -2.760 1.00 0.00 C ATOM 970 CD1 TYR A 60 99.744 -4.346 -2.002 1.00 0.00 C ATOM 971 CD2 TYR A 60 101.237 -5.263 -3.678 1.00 0.00 C ATOM 972 CE1 TYR A 60 100.338 -3.088 -2.162 1.00 0.00 C ATOM 973 CE2 TYR A 60 101.832 -4.006 -3.838 1.00 0.00 C ATOM 974 CZ TYR A 60 101.383 -2.919 -3.081 1.00 0.00 C ATOM 975 OH TYR A 60 101.968 -1.681 -3.239 1.00 0.00 O ATOM 0 H TYR A 60 97.706 -8.380 -3.491 1.00 0.00 H new ATOM 0 HA TYR A 60 97.934 -6.433 -1.227 1.00 0.00 H new ATOM 0 HB2 TYR A 60 100.057 -7.335 -1.783 1.00 0.00 H new ATOM 0 HB3 TYR A 60 99.702 -7.384 -3.498 1.00 0.00 H new ATOM 0 HD1 TYR A 60 98.939 -4.477 -1.294 1.00 0.00 H new ATOM 0 HD2 TYR A 60 101.583 -6.102 -4.264 1.00 0.00 H new ATOM 0 HE1 TYR A 60 99.991 -2.248 -1.578 1.00 0.00 H new ATOM 0 HE2 TYR A 60 102.637 -3.876 -4.546 1.00 0.00 H new ATOM 0 HH TYR A 60 102.942 -1.768 -3.170 1.00 0.00 H new ATOM 985 N TRP A 61 96.841 -4.569 -2.464 1.00 0.00 N ATOM 986 CA TRP A 61 96.226 -3.432 -3.210 1.00 0.00 C ATOM 987 C TRP A 61 97.043 -2.159 -2.978 1.00 0.00 C ATOM 988 O TRP A 61 97.539 -1.917 -1.896 1.00 0.00 O ATOM 989 CB TRP A 61 94.794 -3.217 -2.715 1.00 0.00 C ATOM 990 CG TRP A 61 94.160 -2.102 -3.482 1.00 0.00 C ATOM 991 CD1 TRP A 61 93.584 -2.225 -4.701 1.00 0.00 C ATOM 992 CD2 TRP A 61 94.024 -0.701 -3.105 1.00 0.00 C ATOM 993 NE1 TRP A 61 93.103 -0.990 -5.096 1.00 0.00 N ATOM 994 CE2 TRP A 61 93.351 -0.019 -4.146 1.00 0.00 C ATOM 995 CE3 TRP A 61 94.416 0.036 -1.973 1.00 0.00 C ATOM 996 CZ2 TRP A 61 93.075 1.348 -4.065 1.00 0.00 C ATOM 997 CZ3 TRP A 61 94.140 1.412 -1.890 1.00 0.00 C ATOM 998 CH2 TRP A 61 93.471 2.065 -2.935 1.00 0.00 C ATOM 0 H TRP A 61 96.730 -4.533 -1.451 1.00 0.00 H new ATOM 0 HA TRP A 61 96.215 -3.662 -4.275 1.00 0.00 H new ATOM 0 HB2 TRP A 61 94.215 -4.132 -2.838 1.00 0.00 H new ATOM 0 HB3 TRP A 61 94.798 -2.983 -1.650 1.00 0.00 H new ATOM 0 HD1 TRP A 61 93.512 -3.139 -5.272 1.00 0.00 H new ATOM 0 HE1 TRP A 61 92.624 -0.818 -5.980 1.00 0.00 H new ATOM 0 HE3 TRP A 61 94.932 -0.458 -1.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 92.558 1.847 -4.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 94.445 1.969 -1.017 1.00 0.00 H new ATOM 0 HH2 TRP A 61 93.262 3.122 -2.866 1.00 0.00 H new ATOM 1009 N LEU A 62 97.187 -1.343 -3.989 1.00 0.00 N ATOM 1010 CA LEU A 62 97.970 -0.084 -3.828 1.00 0.00 C ATOM 1011 C LEU A 62 97.192 1.084 -4.439 1.00 0.00 C ATOM 1012 O LEU A 62 96.283 0.894 -5.222 1.00 0.00 O ATOM 1013 CB LEU A 62 99.318 -0.226 -4.539 1.00 0.00 C ATOM 1014 CG LEU A 62 99.146 -1.064 -5.808 1.00 0.00 C ATOM 1015 CD1 LEU A 62 100.172 -0.625 -6.855 1.00 0.00 C ATOM 1016 CD2 LEU A 62 99.361 -2.544 -5.476 1.00 0.00 C ATOM 0 H LEU A 62 96.796 -1.495 -4.919 1.00 0.00 H new ATOM 0 HA LEU A 62 98.137 0.106 -2.768 1.00 0.00 H new ATOM 0 HB2 LEU A 62 99.712 0.758 -4.792 1.00 0.00 H new ATOM 0 HB3 LEU A 62 100.042 -0.698 -3.875 1.00 0.00 H new ATOM 0 HG LEU A 62 98.140 -0.921 -6.202 1.00 0.00 H new ATOM 0 HD11 LEU A 62 100.049 -1.222 -7.758 1.00 0.00 H new ATOM 0 HD12 LEU A 62 100.021 0.428 -7.093 1.00 0.00 H new ATOM 0 HD13 LEU A 62 101.178 -0.767 -6.461 1.00 0.00 H new ATOM 0 HD21 LEU A 62 99.239 -3.141 -6.380 1.00 0.00 H new ATOM 0 HD22 LEU A 62 100.367 -2.686 -5.081 1.00 0.00 H new ATOM 0 HD23 LEU A 62 98.631 -2.860 -4.731 1.00 0.00 H new ATOM 1028 N GLY A 63 97.542 2.291 -4.085 1.00 0.00 N ATOM 1029 CA GLY A 63 96.823 3.471 -4.645 1.00 0.00 C ATOM 1030 C GLY A 63 97.466 3.888 -5.969 1.00 0.00 C ATOM 1031 O GLY A 63 98.630 3.637 -6.211 1.00 0.00 O ATOM 0 H GLY A 63 98.294 2.511 -3.432 1.00 0.00 H new ATOM 0 HA2 GLY A 63 95.772 3.228 -4.801 1.00 0.00 H new ATOM 0 HA3 GLY A 63 96.857 4.299 -3.937 1.00 0.00 H new ATOM 1035 N ASN A 64 96.717 4.522 -6.828 1.00 0.00 N ATOM 1036 CA ASN A 64 97.280 4.957 -8.138 1.00 0.00 C ATOM 1037 C ASN A 64 98.038 6.274 -7.958 1.00 0.00 C ATOM 1038 O ASN A 64 98.770 6.703 -8.828 1.00 0.00 O ATOM 1039 CB ASN A 64 96.146 5.152 -9.145 1.00 0.00 C ATOM 1040 CG ASN A 64 94.969 5.850 -8.460 1.00 0.00 C ATOM 1041 OD1 ASN A 64 94.499 5.406 -7.431 1.00 0.00 O ATOM 1042 ND2 ASN A 64 94.469 6.931 -8.992 1.00 0.00 N ATOM 0 H ASN A 64 95.736 4.759 -6.679 1.00 0.00 H new ATOM 0 HA ASN A 64 97.964 4.193 -8.508 1.00 0.00 H new ATOM 0 HB2 ASN A 64 96.494 5.747 -9.990 1.00 0.00 H new ATOM 0 HB3 ASN A 64 95.829 4.188 -9.543 1.00 0.00 H new ATOM 0 HD21 ASN A 64 93.684 7.403 -8.544 1.00 0.00 H new ATOM 0 HD22 ASN A 64 94.863 7.304 -9.856 1.00 0.00 H new ATOM 1049 N GLU A 65 97.872 6.912 -6.834 1.00 0.00 N ATOM 1050 CA GLU A 65 98.585 8.192 -6.588 1.00 0.00 C ATOM 1051 C GLU A 65 99.695 7.931 -5.580 1.00 0.00 C ATOM 1052 O GLU A 65 100.042 8.773 -4.776 1.00 0.00 O ATOM 1053 CB GLU A 65 97.603 9.223 -6.028 1.00 0.00 C ATOM 1054 CG GLU A 65 96.193 8.880 -6.504 1.00 0.00 C ATOM 1055 CD GLU A 65 95.217 9.962 -6.045 1.00 0.00 C ATOM 1056 OE1 GLU A 65 95.646 11.094 -5.894 1.00 0.00 O ATOM 1057 OE2 GLU A 65 94.056 9.641 -5.850 1.00 0.00 O ATOM 0 H GLU A 65 97.270 6.599 -6.072 1.00 0.00 H new ATOM 0 HA GLU A 65 99.007 8.578 -7.516 1.00 0.00 H new ATOM 0 HB2 GLU A 65 97.642 9.226 -4.939 1.00 0.00 H new ATOM 0 HB3 GLU A 65 97.879 10.224 -6.360 1.00 0.00 H new ATOM 0 HG2 GLU A 65 96.176 8.798 -7.591 1.00 0.00 H new ATOM 0 HG3 GLU A 65 95.890 7.911 -6.107 1.00 0.00 H new ATOM 1064 N CYS A 66 100.253 6.756 -5.629 1.00 0.00 N ATOM 1065 CA CYS A 66 101.340 6.397 -4.702 1.00 0.00 C ATOM 1066 C CYS A 66 102.489 5.818 -5.510 1.00 0.00 C ATOM 1067 O CYS A 66 102.508 4.659 -5.871 1.00 0.00 O ATOM 1068 CB CYS A 66 100.836 5.360 -3.712 1.00 0.00 C ATOM 1069 SG CYS A 66 100.288 6.180 -2.195 1.00 0.00 S ATOM 0 H CYS A 66 99.992 6.021 -6.287 1.00 0.00 H new ATOM 0 HA CYS A 66 101.677 7.277 -4.155 1.00 0.00 H new ATOM 0 HB2 CYS A 66 100.012 4.796 -4.150 1.00 0.00 H new ATOM 0 HB3 CYS A 66 101.627 4.645 -3.485 1.00 0.00 H new ATOM 0 HG CYS A 66 99.856 5.290 -1.352 1.00 0.00 H new ATOM 1075 N SER A 67 103.436 6.637 -5.792 1.00 0.00 N ATOM 1076 CA SER A 67 104.620 6.200 -6.585 1.00 0.00 C ATOM 1077 C SER A 67 105.113 4.842 -6.078 1.00 0.00 C ATOM 1078 O SER A 67 104.632 4.323 -5.091 1.00 0.00 O ATOM 1079 CB SER A 67 105.738 7.232 -6.438 1.00 0.00 C ATOM 1080 OG SER A 67 106.997 6.577 -6.519 1.00 0.00 O ATOM 0 H SER A 67 103.452 7.616 -5.506 1.00 0.00 H new ATOM 0 HA SER A 67 104.337 6.111 -7.634 1.00 0.00 H new ATOM 0 HB2 SER A 67 105.657 7.987 -7.220 1.00 0.00 H new ATOM 0 HB3 SER A 67 105.646 7.751 -5.484 1.00 0.00 H new ATOM 0 HG SER A 67 107.716 7.237 -6.427 1.00 0.00 H new ATOM 1086 N GLN A 68 106.070 4.267 -6.752 1.00 0.00 N ATOM 1087 CA GLN A 68 106.600 2.942 -6.321 1.00 0.00 C ATOM 1088 C GLN A 68 107.106 3.032 -4.880 1.00 0.00 C ATOM 1089 O GLN A 68 107.291 2.034 -4.216 1.00 0.00 O ATOM 1090 CB GLN A 68 107.752 2.531 -7.240 1.00 0.00 C ATOM 1091 CG GLN A 68 108.756 3.680 -7.347 1.00 0.00 C ATOM 1092 CD GLN A 68 110.108 3.134 -7.813 1.00 0.00 C ATOM 1093 OE1 GLN A 68 111.039 3.042 -7.038 1.00 0.00 O ATOM 1094 NE2 GLN A 68 110.256 2.767 -9.056 1.00 0.00 N ATOM 0 H GLN A 68 106.509 4.658 -7.585 1.00 0.00 H new ATOM 0 HA GLN A 68 105.804 2.200 -6.378 1.00 0.00 H new ATOM 0 HB2 GLN A 68 108.243 1.640 -6.848 1.00 0.00 H new ATOM 0 HB3 GLN A 68 107.369 2.276 -8.228 1.00 0.00 H new ATOM 0 HG2 GLN A 68 108.393 4.430 -8.050 1.00 0.00 H new ATOM 0 HG3 GLN A 68 108.864 4.174 -6.381 1.00 0.00 H new ATOM 0 HE21 GLN A 68 109.475 2.844 -9.707 1.00 0.00 H new ATOM 0 HE22 GLN A 68 111.153 2.403 -9.377 1.00 0.00 H new ATOM 1103 N ASP A 69 107.336 4.220 -4.389 1.00 0.00 N ATOM 1104 CA ASP A 69 107.835 4.361 -2.990 1.00 0.00 C ATOM 1105 C ASP A 69 106.806 3.776 -2.023 1.00 0.00 C ATOM 1106 O ASP A 69 107.090 2.860 -1.277 1.00 0.00 O ATOM 1107 CB ASP A 69 108.056 5.841 -2.671 1.00 0.00 C ATOM 1108 CG ASP A 69 108.279 6.010 -1.168 1.00 0.00 C ATOM 1109 OD1 ASP A 69 107.574 6.808 -0.572 1.00 0.00 O ATOM 1110 OD2 ASP A 69 109.149 5.339 -0.637 1.00 0.00 O ATOM 0 H ASP A 69 107.201 5.096 -4.894 1.00 0.00 H new ATOM 0 HA ASP A 69 108.778 3.825 -2.885 1.00 0.00 H new ATOM 0 HB2 ASP A 69 108.917 6.218 -3.222 1.00 0.00 H new ATOM 0 HB3 ASP A 69 107.193 6.426 -2.990 1.00 0.00 H new ATOM 1115 N GLU A 70 105.612 4.293 -2.034 1.00 0.00 N ATOM 1116 CA GLU A 70 104.565 3.761 -1.120 1.00 0.00 C ATOM 1117 C GLU A 70 104.269 2.313 -1.505 1.00 0.00 C ATOM 1118 O GLU A 70 104.283 1.420 -0.680 1.00 0.00 O ATOM 1119 CB GLU A 70 103.292 4.606 -1.250 1.00 0.00 C ATOM 1120 CG GLU A 70 103.124 5.482 -0.005 1.00 0.00 C ATOM 1121 CD GLU A 70 102.586 4.632 1.148 1.00 0.00 C ATOM 1122 OE1 GLU A 70 103.285 3.723 1.564 1.00 0.00 O ATOM 1123 OE2 GLU A 70 101.485 4.904 1.596 1.00 0.00 O ATOM 0 H GLU A 70 105.315 5.061 -2.636 1.00 0.00 H new ATOM 0 HA GLU A 70 104.913 3.804 -0.088 1.00 0.00 H new ATOM 0 HB2 GLU A 70 103.348 5.231 -2.141 1.00 0.00 H new ATOM 0 HB3 GLU A 70 102.424 3.957 -1.370 1.00 0.00 H new ATOM 0 HG2 GLU A 70 104.080 5.926 0.272 1.00 0.00 H new ATOM 0 HG3 GLU A 70 102.440 6.304 -0.215 1.00 0.00 H new ATOM 1130 N SER A 71 104.014 2.076 -2.759 1.00 0.00 N ATOM 1131 CA SER A 71 103.730 0.687 -3.211 1.00 0.00 C ATOM 1132 C SER A 71 104.986 -0.162 -3.011 1.00 0.00 C ATOM 1133 O SER A 71 104.925 -1.372 -2.937 1.00 0.00 O ATOM 1134 CB SER A 71 103.348 0.698 -4.691 1.00 0.00 C ATOM 1135 OG SER A 71 102.255 1.585 -4.887 1.00 0.00 O ATOM 0 H SER A 71 103.990 2.785 -3.492 1.00 0.00 H new ATOM 0 HA SER A 71 102.905 0.270 -2.633 1.00 0.00 H new ATOM 0 HB2 SER A 71 104.199 1.012 -5.296 1.00 0.00 H new ATOM 0 HB3 SER A 71 103.079 -0.307 -5.016 1.00 0.00 H new ATOM 0 HG SER A 71 102.591 2.461 -5.169 1.00 0.00 H new ATOM 1141 N GLY A 72 106.125 0.471 -2.918 1.00 0.00 N ATOM 1142 CA GLY A 72 107.386 -0.294 -2.717 1.00 0.00 C ATOM 1143 C GLY A 72 107.398 -0.881 -1.307 1.00 0.00 C ATOM 1144 O GLY A 72 107.743 -2.027 -1.103 1.00 0.00 O ATOM 0 H GLY A 72 106.235 1.484 -2.973 1.00 0.00 H new ATOM 0 HA2 GLY A 72 107.464 -1.091 -3.456 1.00 0.00 H new ATOM 0 HA3 GLY A 72 108.248 0.358 -2.860 1.00 0.00 H new ATOM 1148 N ALA A 73 107.014 -0.105 -0.329 1.00 0.00 N ATOM 1149 CA ALA A 73 106.997 -0.625 1.066 1.00 0.00 C ATOM 1150 C ALA A 73 105.931 -1.713 1.181 1.00 0.00 C ATOM 1151 O ALA A 73 106.177 -2.791 1.685 1.00 0.00 O ATOM 1152 CB ALA A 73 106.673 0.516 2.033 1.00 0.00 C ATOM 0 H ALA A 73 106.712 0.863 -0.437 1.00 0.00 H new ATOM 0 HA ALA A 73 107.973 -1.041 1.316 1.00 0.00 H new ATOM 0 HB1 ALA A 73 106.661 0.135 3.054 1.00 0.00 H new ATOM 0 HB2 ALA A 73 107.431 1.294 1.945 1.00 0.00 H new ATOM 0 HB3 ALA A 73 105.696 0.933 1.789 1.00 0.00 H new ATOM 1158 N ALA A 74 104.748 -1.438 0.711 1.00 0.00 N ATOM 1159 CA ALA A 74 103.662 -2.455 0.784 1.00 0.00 C ATOM 1160 C ALA A 74 104.103 -3.717 0.039 1.00 0.00 C ATOM 1161 O ALA A 74 103.919 -4.824 0.505 1.00 0.00 O ATOM 1162 CB ALA A 74 102.394 -1.896 0.136 1.00 0.00 C ATOM 0 H ALA A 74 104.485 -0.552 0.279 1.00 0.00 H new ATOM 0 HA ALA A 74 103.457 -2.698 1.827 1.00 0.00 H new ATOM 0 HB1 ALA A 74 101.600 -2.640 0.190 1.00 0.00 H new ATOM 0 HB2 ALA A 74 102.083 -0.994 0.664 1.00 0.00 H new ATOM 0 HB3 ALA A 74 102.595 -1.654 -0.908 1.00 0.00 H new ATOM 1168 N ALA A 75 104.688 -3.555 -1.119 1.00 0.00 N ATOM 1169 CA ALA A 75 105.143 -4.741 -1.897 1.00 0.00 C ATOM 1170 C ALA A 75 106.284 -5.435 -1.149 1.00 0.00 C ATOM 1171 O ALA A 75 106.289 -6.638 -0.986 1.00 0.00 O ATOM 1172 CB ALA A 75 105.636 -4.289 -3.271 1.00 0.00 C ATOM 0 H ALA A 75 104.870 -2.652 -1.558 1.00 0.00 H new ATOM 0 HA ALA A 75 104.313 -5.436 -2.019 1.00 0.00 H new ATOM 0 HB1 ALA A 75 105.969 -5.156 -3.841 1.00 0.00 H new ATOM 0 HB2 ALA A 75 104.824 -3.794 -3.804 1.00 0.00 H new ATOM 0 HB3 ALA A 75 106.467 -3.594 -3.149 1.00 0.00 H new ATOM 1178 N ILE A 76 107.249 -4.686 -0.693 1.00 0.00 N ATOM 1179 CA ILE A 76 108.387 -5.307 0.043 1.00 0.00 C ATOM 1180 C ILE A 76 107.837 -6.282 1.083 1.00 0.00 C ATOM 1181 O ILE A 76 108.328 -7.384 1.237 1.00 0.00 O ATOM 1182 CB ILE A 76 109.204 -4.213 0.738 1.00 0.00 C ATOM 1183 CG1 ILE A 76 110.173 -3.587 -0.268 1.00 0.00 C ATOM 1184 CG2 ILE A 76 109.998 -4.819 1.897 1.00 0.00 C ATOM 1185 CD1 ILE A 76 110.825 -2.350 0.352 1.00 0.00 C ATOM 0 H ILE A 76 107.300 -3.673 -0.797 1.00 0.00 H new ATOM 0 HA ILE A 76 109.030 -5.844 -0.655 1.00 0.00 H new ATOM 0 HB ILE A 76 108.529 -3.448 1.123 1.00 0.00 H new ATOM 0 HG12 ILE A 76 110.937 -4.311 -0.551 1.00 0.00 H new ATOM 0 HG13 ILE A 76 109.641 -3.313 -1.179 1.00 0.00 H new ATOM 0 HG21 ILE A 76 110.578 -4.038 2.389 1.00 0.00 H new ATOM 0 HG22 ILE A 76 109.310 -5.267 2.615 1.00 0.00 H new ATOM 0 HG23 ILE A 76 110.673 -5.585 1.515 1.00 0.00 H new ATOM 0 HD11 ILE A 76 111.515 -1.905 -0.365 1.00 0.00 H new ATOM 0 HD12 ILE A 76 110.054 -1.625 0.613 1.00 0.00 H new ATOM 0 HD13 ILE A 76 111.371 -2.638 1.250 1.00 0.00 H new ATOM 1197 N PHE A 77 106.819 -5.890 1.798 1.00 0.00 N ATOM 1198 CA PHE A 77 106.238 -6.801 2.824 1.00 0.00 C ATOM 1199 C PHE A 77 105.619 -8.014 2.130 1.00 0.00 C ATOM 1200 O PHE A 77 105.822 -9.142 2.533 1.00 0.00 O ATOM 1201 CB PHE A 77 105.160 -6.059 3.617 1.00 0.00 C ATOM 1202 CG PHE A 77 105.814 -5.171 4.649 1.00 0.00 C ATOM 1203 CD1 PHE A 77 105.716 -3.779 4.536 1.00 0.00 C ATOM 1204 CD2 PHE A 77 106.517 -5.740 5.718 1.00 0.00 C ATOM 1205 CE1 PHE A 77 106.322 -2.955 5.493 1.00 0.00 C ATOM 1206 CE2 PHE A 77 107.122 -4.915 6.673 1.00 0.00 C ATOM 1207 CZ PHE A 77 107.025 -3.523 6.562 1.00 0.00 C ATOM 0 H PHE A 77 106.365 -4.980 1.717 1.00 0.00 H new ATOM 0 HA PHE A 77 107.023 -7.131 3.505 1.00 0.00 H new ATOM 0 HB2 PHE A 77 104.546 -5.461 2.944 1.00 0.00 H new ATOM 0 HB3 PHE A 77 104.496 -6.773 4.105 1.00 0.00 H new ATOM 0 HD1 PHE A 77 105.173 -3.341 3.711 1.00 0.00 H new ATOM 0 HD2 PHE A 77 106.592 -6.814 5.805 1.00 0.00 H new ATOM 0 HE1 PHE A 77 106.247 -1.881 5.406 1.00 0.00 H new ATOM 0 HE2 PHE A 77 107.665 -5.353 7.497 1.00 0.00 H new ATOM 0 HZ PHE A 77 107.492 -2.888 7.300 1.00 0.00 H new ATOM 1217 N THR A 78 104.867 -7.793 1.086 1.00 0.00 N ATOM 1218 CA THR A 78 104.242 -8.938 0.368 1.00 0.00 C ATOM 1219 C THR A 78 105.342 -9.781 -0.278 1.00 0.00 C ATOM 1220 O THR A 78 105.161 -10.950 -0.561 1.00 0.00 O ATOM 1221 CB THR A 78 103.301 -8.407 -0.717 1.00 0.00 C ATOM 1222 OG1 THR A 78 102.555 -7.315 -0.200 1.00 0.00 O ATOM 1223 CG2 THR A 78 102.347 -9.519 -1.156 1.00 0.00 C ATOM 0 H THR A 78 104.659 -6.872 0.701 1.00 0.00 H new ATOM 0 HA THR A 78 103.674 -9.549 1.070 1.00 0.00 H new ATOM 0 HB THR A 78 103.885 -8.074 -1.575 1.00 0.00 H new ATOM 0 HG1 THR A 78 102.074 -6.873 -0.930 1.00 0.00 H new ATOM 0 HG21 THR A 78 101.678 -9.140 -1.928 1.00 0.00 H new ATOM 0 HG22 THR A 78 102.922 -10.356 -1.553 1.00 0.00 H new ATOM 0 HG23 THR A 78 101.761 -9.854 -0.300 1.00 0.00 H new ATOM 1231 N VAL A 79 106.485 -9.197 -0.510 1.00 0.00 N ATOM 1232 CA VAL A 79 107.601 -9.958 -1.135 1.00 0.00 C ATOM 1233 C VAL A 79 108.193 -10.925 -0.112 1.00 0.00 C ATOM 1234 O VAL A 79 108.352 -12.102 -0.375 1.00 0.00 O ATOM 1235 CB VAL A 79 108.683 -8.983 -1.602 1.00 0.00 C ATOM 1236 CG1 VAL A 79 109.918 -9.765 -2.049 1.00 0.00 C ATOM 1237 CG2 VAL A 79 108.150 -8.157 -2.776 1.00 0.00 C ATOM 0 H VAL A 79 106.694 -8.223 -0.293 1.00 0.00 H new ATOM 0 HA VAL A 79 107.225 -10.520 -1.990 1.00 0.00 H new ATOM 0 HB VAL A 79 108.953 -8.319 -0.781 1.00 0.00 H new ATOM 0 HG11 VAL A 79 110.688 -9.069 -2.382 1.00 0.00 H new ATOM 0 HG12 VAL A 79 110.297 -10.354 -1.214 1.00 0.00 H new ATOM 0 HG13 VAL A 79 109.650 -10.430 -2.870 1.00 0.00 H new ATOM 0 HG21 VAL A 79 108.920 -7.461 -3.110 1.00 0.00 H new ATOM 0 HG22 VAL A 79 107.881 -8.822 -3.596 1.00 0.00 H new ATOM 0 HG23 VAL A 79 107.270 -7.599 -2.458 1.00 0.00 H new ATOM 1247 N GLN A 80 108.513 -10.443 1.054 1.00 0.00 N ATOM 1248 CA GLN A 80 109.089 -11.339 2.094 1.00 0.00 C ATOM 1249 C GLN A 80 108.068 -12.424 2.434 1.00 0.00 C ATOM 1250 O GLN A 80 108.372 -13.602 2.440 1.00 0.00 O ATOM 1251 CB GLN A 80 109.411 -10.527 3.350 1.00 0.00 C ATOM 1252 CG GLN A 80 110.461 -9.465 3.017 1.00 0.00 C ATOM 1253 CD GLN A 80 111.171 -9.029 4.300 1.00 0.00 C ATOM 1254 OE1 GLN A 80 112.328 -9.341 4.502 1.00 0.00 O ATOM 1255 NE2 GLN A 80 110.523 -8.317 5.181 1.00 0.00 N ATOM 0 H GLN A 80 108.401 -9.468 1.333 1.00 0.00 H new ATOM 0 HA GLN A 80 110.005 -11.797 1.720 1.00 0.00 H new ATOM 0 HB2 GLN A 80 108.507 -10.052 3.731 1.00 0.00 H new ATOM 0 HB3 GLN A 80 109.781 -11.185 4.136 1.00 0.00 H new ATOM 0 HG2 GLN A 80 111.184 -9.864 2.306 1.00 0.00 H new ATOM 0 HG3 GLN A 80 109.987 -8.606 2.541 1.00 0.00 H new ATOM 0 HE21 GLN A 80 109.552 -8.055 5.011 1.00 0.00 H new ATOM 0 HE22 GLN A 80 110.988 -8.022 6.040 1.00 0.00 H new ATOM 1264 N LEU A 81 106.853 -12.037 2.706 1.00 0.00 N ATOM 1265 CA LEU A 81 105.809 -13.042 3.035 1.00 0.00 C ATOM 1266 C LEU A 81 105.729 -14.066 1.904 1.00 0.00 C ATOM 1267 O LEU A 81 105.542 -15.244 2.132 1.00 0.00 O ATOM 1268 CB LEU A 81 104.458 -12.339 3.192 1.00 0.00 C ATOM 1269 CG LEU A 81 104.333 -11.781 4.616 1.00 0.00 C ATOM 1270 CD1 LEU A 81 103.757 -10.364 4.568 1.00 0.00 C ATOM 1271 CD2 LEU A 81 103.405 -12.678 5.440 1.00 0.00 C ATOM 0 H LEU A 81 106.539 -11.066 2.714 1.00 0.00 H new ATOM 0 HA LEU A 81 106.061 -13.547 3.968 1.00 0.00 H new ATOM 0 HB2 LEU A 81 104.370 -11.532 2.465 1.00 0.00 H new ATOM 0 HB3 LEU A 81 103.647 -13.039 2.992 1.00 0.00 H new ATOM 0 HG LEU A 81 105.320 -11.755 5.078 1.00 0.00 H new ATOM 0 HD11 LEU A 81 103.670 -9.972 5.581 1.00 0.00 H new ATOM 0 HD12 LEU A 81 104.418 -9.722 3.986 1.00 0.00 H new ATOM 0 HD13 LEU A 81 102.772 -10.387 4.102 1.00 0.00 H new ATOM 0 HD21 LEU A 81 103.318 -12.280 6.451 1.00 0.00 H new ATOM 0 HD22 LEU A 81 102.420 -12.707 4.975 1.00 0.00 H new ATOM 0 HD23 LEU A 81 103.816 -13.687 5.481 1.00 0.00 H new ATOM 1283 N ASP A 82 105.876 -13.628 0.683 1.00 0.00 N ATOM 1284 CA ASP A 82 105.817 -14.582 -0.459 1.00 0.00 C ATOM 1285 C ASP A 82 106.892 -15.650 -0.267 1.00 0.00 C ATOM 1286 O ASP A 82 106.606 -16.831 -0.238 1.00 0.00 O ATOM 1287 CB ASP A 82 106.064 -13.833 -1.770 1.00 0.00 C ATOM 1288 CG ASP A 82 105.881 -14.793 -2.948 1.00 0.00 C ATOM 1289 OD1 ASP A 82 105.817 -14.317 -4.069 1.00 0.00 O ATOM 1290 OD2 ASP A 82 105.812 -15.987 -2.708 1.00 0.00 O ATOM 0 H ASP A 82 106.034 -12.653 0.428 1.00 0.00 H new ATOM 0 HA ASP A 82 104.834 -15.050 -0.498 1.00 0.00 H new ATOM 0 HB2 ASP A 82 105.372 -12.995 -1.859 1.00 0.00 H new ATOM 0 HB3 ASP A 82 107.071 -13.417 -1.779 1.00 0.00 H new ATOM 1295 N ASP A 83 108.126 -15.252 -0.121 1.00 0.00 N ATOM 1296 CA ASP A 83 109.201 -16.258 0.083 1.00 0.00 C ATOM 1297 C ASP A 83 108.772 -17.199 1.204 1.00 0.00 C ATOM 1298 O ASP A 83 109.062 -18.378 1.190 1.00 0.00 O ATOM 1299 CB ASP A 83 110.503 -15.554 0.470 1.00 0.00 C ATOM 1300 CG ASP A 83 110.910 -14.584 -0.642 1.00 0.00 C ATOM 1301 OD1 ASP A 83 111.875 -13.864 -0.449 1.00 0.00 O ATOM 1302 OD2 ASP A 83 110.249 -14.578 -1.667 1.00 0.00 O ATOM 0 H ASP A 83 108.433 -14.279 -0.134 1.00 0.00 H new ATOM 0 HA ASP A 83 109.367 -16.820 -0.836 1.00 0.00 H new ATOM 0 HB2 ASP A 83 110.372 -15.014 1.408 1.00 0.00 H new ATOM 0 HB3 ASP A 83 111.292 -16.289 0.633 1.00 0.00 H new ATOM 1307 N TYR A 84 108.063 -16.683 2.171 1.00 0.00 N ATOM 1308 CA TYR A 84 107.593 -17.541 3.288 1.00 0.00 C ATOM 1309 C TYR A 84 106.399 -18.364 2.806 1.00 0.00 C ATOM 1310 O TYR A 84 106.108 -19.423 3.330 1.00 0.00 O ATOM 1311 CB TYR A 84 107.168 -16.660 4.466 1.00 0.00 C ATOM 1312 CG TYR A 84 106.366 -17.479 5.449 1.00 0.00 C ATOM 1313 CD1 TYR A 84 105.039 -17.131 5.730 1.00 0.00 C ATOM 1314 CD2 TYR A 84 106.946 -18.587 6.076 1.00 0.00 C ATOM 1315 CE1 TYR A 84 104.293 -17.890 6.640 1.00 0.00 C ATOM 1316 CE2 TYR A 84 106.201 -19.346 6.986 1.00 0.00 C ATOM 1317 CZ TYR A 84 104.875 -18.999 7.268 1.00 0.00 C ATOM 1318 OH TYR A 84 104.142 -19.747 8.165 1.00 0.00 O ATOM 0 H TYR A 84 107.790 -15.702 2.233 1.00 0.00 H new ATOM 0 HA TYR A 84 108.395 -18.205 3.610 1.00 0.00 H new ATOM 0 HB2 TYR A 84 108.047 -16.243 4.957 1.00 0.00 H new ATOM 0 HB3 TYR A 84 106.574 -15.819 4.108 1.00 0.00 H new ATOM 0 HD1 TYR A 84 104.591 -16.277 5.245 1.00 0.00 H new ATOM 0 HD2 TYR A 84 107.969 -18.857 5.858 1.00 0.00 H new ATOM 0 HE1 TYR A 84 103.270 -17.621 6.858 1.00 0.00 H new ATOM 0 HE2 TYR A 84 106.650 -20.200 7.471 1.00 0.00 H new ATOM 0 HH TYR A 84 104.695 -20.480 8.508 1.00 0.00 H new ATOM 1328 N LEU A 85 105.706 -17.888 1.803 1.00 0.00 N ATOM 1329 CA LEU A 85 104.534 -18.639 1.279 1.00 0.00 C ATOM 1330 C LEU A 85 104.752 -18.953 -0.202 1.00 0.00 C ATOM 1331 O LEU A 85 103.817 -19.046 -0.972 1.00 0.00 O ATOM 1332 CB LEU A 85 103.268 -17.795 1.443 1.00 0.00 C ATOM 1333 CG LEU A 85 102.970 -17.599 2.932 1.00 0.00 C ATOM 1334 CD1 LEU A 85 102.207 -16.289 3.133 1.00 0.00 C ATOM 1335 CD2 LEU A 85 102.121 -18.766 3.441 1.00 0.00 C ATOM 0 H LEU A 85 105.905 -17.009 1.326 1.00 0.00 H new ATOM 0 HA LEU A 85 104.421 -19.570 1.835 1.00 0.00 H new ATOM 0 HB2 LEU A 85 103.398 -16.828 0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 85 102.426 -18.286 0.955 1.00 0.00 H new ATOM 0 HG LEU A 85 103.907 -17.562 3.487 1.00 0.00 H new ATOM 0 HD11 LEU A 85 101.995 -16.150 4.193 1.00 0.00 H new ATOM 0 HD12 LEU A 85 102.811 -15.457 2.772 1.00 0.00 H new ATOM 0 HD13 LEU A 85 101.270 -16.325 2.578 1.00 0.00 H new ATOM 0 HD21 LEU A 85 101.909 -18.626 4.501 1.00 0.00 H new ATOM 0 HD22 LEU A 85 101.184 -18.804 2.885 1.00 0.00 H new ATOM 0 HD23 LEU A 85 102.665 -19.700 3.300 1.00 0.00 H new ATOM 1347 N ASN A 86 105.981 -19.120 -0.605 1.00 0.00 N ATOM 1348 CA ASN A 86 106.259 -19.433 -2.033 1.00 0.00 C ATOM 1349 C ASN A 86 106.014 -20.922 -2.272 1.00 0.00 C ATOM 1350 O ASN A 86 106.608 -21.532 -3.138 1.00 0.00 O ATOM 1351 CB ASN A 86 107.717 -19.084 -2.362 1.00 0.00 C ATOM 1352 CG ASN A 86 107.760 -18.082 -3.520 1.00 0.00 C ATOM 1353 OD1 ASN A 86 108.345 -16.929 -3.347 1.00 0.00 O flip ATOM 1354 ND2 ASN A 86 107.258 -18.353 -4.592 1.00 0.00 N flip ATOM 0 H ASN A 86 106.804 -19.053 -0.007 1.00 0.00 H new ATOM 0 HA ASN A 86 105.601 -18.847 -2.675 1.00 0.00 H new ATOM 0 HB2 ASN A 86 108.207 -18.662 -1.485 1.00 0.00 H new ATOM 0 HB3 ASN A 86 108.266 -19.987 -2.629 1.00 0.00 H new ATOM 0 HD21 ASN A 86 106.801 -19.255 -4.728 1.00 0.00 H new ATOM 0 HD22 ASN A 86 107.294 -17.679 -5.357 1.00 0.00 H new ATOM 1361 N GLY A 87 105.142 -21.506 -1.505 1.00 0.00 N ATOM 1362 CA GLY A 87 104.847 -22.957 -1.673 1.00 0.00 C ATOM 1363 C GLY A 87 103.823 -23.146 -2.794 1.00 0.00 C ATOM 1364 O GLY A 87 104.047 -23.884 -3.732 1.00 0.00 O ATOM 0 H GLY A 87 104.617 -21.041 -0.765 1.00 0.00 H new ATOM 0 HA2 GLY A 87 105.763 -23.500 -1.908 1.00 0.00 H new ATOM 0 HA3 GLY A 87 104.461 -23.370 -0.741 1.00 0.00 H new ATOM 1368 N ARG A 88 102.703 -22.484 -2.705 1.00 0.00 N ATOM 1369 CA ARG A 88 101.668 -22.628 -3.767 1.00 0.00 C ATOM 1370 C ARG A 88 100.504 -21.675 -3.483 1.00 0.00 C ATOM 1371 O ARG A 88 99.351 -22.032 -3.618 1.00 0.00 O ATOM 1372 CB ARG A 88 101.152 -24.070 -3.783 1.00 0.00 C ATOM 1373 CG ARG A 88 100.783 -24.497 -2.361 1.00 0.00 C ATOM 1374 CD ARG A 88 100.443 -25.987 -2.347 1.00 0.00 C ATOM 1375 NE ARG A 88 100.549 -26.508 -0.955 1.00 0.00 N ATOM 1376 CZ ARG A 88 101.716 -26.600 -0.381 1.00 0.00 C ATOM 1377 NH1 ARG A 88 101.810 -27.056 0.840 1.00 0.00 N ATOM 1378 NH2 ARG A 88 102.792 -26.237 -1.024 1.00 0.00 N ATOM 0 H ARG A 88 102.460 -21.850 -1.944 1.00 0.00 H new ATOM 0 HA ARG A 88 102.107 -22.386 -4.735 1.00 0.00 H new ATOM 0 HB2 ARG A 88 100.282 -24.149 -4.435 1.00 0.00 H new ATOM 0 HB3 ARG A 88 101.915 -24.736 -4.187 1.00 0.00 H new ATOM 0 HG2 ARG A 88 101.613 -24.296 -1.683 1.00 0.00 H new ATOM 0 HG3 ARG A 88 99.932 -23.916 -2.005 1.00 0.00 H new ATOM 0 HD2 ARG A 88 99.435 -26.144 -2.730 1.00 0.00 H new ATOM 0 HD3 ARG A 88 101.122 -26.532 -3.003 1.00 0.00 H new ATOM 0 HE ARG A 88 99.709 -26.793 -0.451 1.00 0.00 H new ATOM 0 HH11 ARG A 88 100.970 -27.340 1.344 1.00 0.00 H new ATOM 0 HH12 ARG A 88 102.723 -27.128 1.289 1.00 0.00 H new ATOM 0 HH21 ARG A 88 102.721 -25.881 -1.977 1.00 0.00 H new ATOM 0 HH22 ARG A 88 103.704 -26.310 -0.573 1.00 0.00 H new ATOM 1392 N ALA A 89 100.797 -20.466 -3.092 1.00 0.00 N ATOM 1393 CA ALA A 89 99.707 -19.492 -2.803 1.00 0.00 C ATOM 1394 C ALA A 89 99.455 -18.626 -4.039 1.00 0.00 C ATOM 1395 O ALA A 89 100.114 -18.768 -5.050 1.00 0.00 O ATOM 1396 CB ALA A 89 100.115 -18.598 -1.630 1.00 0.00 C ATOM 0 H ALA A 89 101.744 -20.110 -2.960 1.00 0.00 H new ATOM 0 HA ALA A 89 98.797 -20.034 -2.546 1.00 0.00 H new ATOM 0 HB1 ALA A 89 99.317 -17.886 -1.420 1.00 0.00 H new ATOM 0 HB2 ALA A 89 100.294 -19.214 -0.748 1.00 0.00 H new ATOM 0 HB3 ALA A 89 101.026 -18.056 -1.885 1.00 0.00 H new ATOM 1402 N VAL A 90 98.509 -17.729 -3.963 1.00 0.00 N ATOM 1403 CA VAL A 90 98.215 -16.852 -5.134 1.00 0.00 C ATOM 1404 C VAL A 90 98.342 -15.387 -4.714 1.00 0.00 C ATOM 1405 O VAL A 90 97.399 -14.780 -4.249 1.00 0.00 O ATOM 1406 CB VAL A 90 96.793 -17.120 -5.627 1.00 0.00 C ATOM 1407 CG1 VAL A 90 96.481 -16.202 -6.810 1.00 0.00 C ATOM 1408 CG2 VAL A 90 96.673 -18.579 -6.069 1.00 0.00 C ATOM 0 H VAL A 90 97.927 -17.565 -3.141 1.00 0.00 H new ATOM 0 HA VAL A 90 98.922 -17.064 -5.936 1.00 0.00 H new ATOM 0 HB VAL A 90 96.087 -16.925 -4.820 1.00 0.00 H new ATOM 0 HG11 VAL A 90 95.467 -16.393 -7.161 1.00 0.00 H new ATOM 0 HG12 VAL A 90 96.566 -15.162 -6.496 1.00 0.00 H new ATOM 0 HG13 VAL A 90 97.187 -16.396 -7.617 1.00 0.00 H new ATOM 0 HG21 VAL A 90 95.659 -18.770 -6.421 1.00 0.00 H new ATOM 0 HG22 VAL A 90 97.380 -18.774 -6.876 1.00 0.00 H new ATOM 0 HG23 VAL A 90 96.894 -19.234 -5.226 1.00 0.00 H new ATOM 1418 N GLN A 91 99.502 -14.813 -4.877 1.00 0.00 N ATOM 1419 CA GLN A 91 99.690 -13.387 -4.490 1.00 0.00 C ATOM 1420 C GLN A 91 99.524 -12.501 -5.725 1.00 0.00 C ATOM 1421 O GLN A 91 100.183 -12.690 -6.728 1.00 0.00 O ATOM 1422 CB GLN A 91 101.093 -13.196 -3.909 1.00 0.00 C ATOM 1423 CG GLN A 91 101.518 -14.468 -3.172 1.00 0.00 C ATOM 1424 CD GLN A 91 102.066 -15.483 -4.178 1.00 0.00 C ATOM 1425 OE1 GLN A 91 101.759 -16.745 -4.046 1.00 0.00 O flip ATOM 1426 NE2 GLN A 91 102.780 -15.123 -5.093 1.00 0.00 N flip ATOM 0 H GLN A 91 100.328 -15.271 -5.262 1.00 0.00 H new ATOM 0 HA GLN A 91 98.948 -13.111 -3.741 1.00 0.00 H new ATOM 0 HB2 GLN A 91 101.801 -12.971 -4.707 1.00 0.00 H new ATOM 0 HB3 GLN A 91 101.103 -12.347 -3.226 1.00 0.00 H new ATOM 0 HG2 GLN A 91 102.278 -14.232 -2.427 1.00 0.00 H new ATOM 0 HG3 GLN A 91 100.668 -14.892 -2.638 1.00 0.00 H new ATOM 0 HE21 GLN A 91 103.019 -14.137 -5.195 1.00 0.00 H new ATOM 0 HE22 GLN A 91 103.140 -15.807 -5.759 1.00 0.00 H new ATOM 1435 N HIS A 92 98.646 -11.534 -5.665 1.00 0.00 N ATOM 1436 CA HIS A 92 98.442 -10.642 -6.842 1.00 0.00 C ATOM 1437 C HIS A 92 98.418 -9.184 -6.383 1.00 0.00 C ATOM 1438 O HIS A 92 97.922 -8.864 -5.320 1.00 0.00 O ATOM 1439 CB HIS A 92 97.115 -10.988 -7.519 1.00 0.00 C ATOM 1440 CG HIS A 92 96.022 -11.045 -6.488 1.00 0.00 C ATOM 1441 ND1 HIS A 92 94.885 -10.254 -6.575 1.00 0.00 N ATOM 1442 CD2 HIS A 92 95.872 -11.795 -5.345 1.00 0.00 C ATOM 1443 CE1 HIS A 92 94.109 -10.541 -5.515 1.00 0.00 C ATOM 1444 NE2 HIS A 92 94.664 -11.471 -4.738 1.00 0.00 N ATOM 0 H HIS A 92 98.064 -11.325 -4.854 1.00 0.00 H new ATOM 0 HA HIS A 92 99.259 -10.783 -7.550 1.00 0.00 H new ATOM 0 HB2 HIS A 92 96.876 -10.241 -8.276 1.00 0.00 H new ATOM 0 HB3 HIS A 92 97.196 -11.947 -8.031 1.00 0.00 H new ATOM 0 HD1 HIS A 92 94.676 -9.578 -7.310 1.00 0.00 H new ATOM 0 HD2 HIS A 92 96.581 -12.522 -4.977 1.00 0.00 H new ATOM 0 HE1 HIS A 92 93.155 -10.076 -5.318 1.00 0.00 H new ATOM 1452 N ARG A 93 98.956 -8.295 -7.174 1.00 0.00 N ATOM 1453 CA ARG A 93 98.969 -6.858 -6.784 1.00 0.00 C ATOM 1454 C ARG A 93 97.829 -6.121 -7.492 1.00 0.00 C ATOM 1455 O ARG A 93 97.896 -5.847 -8.675 1.00 0.00 O ATOM 1456 CB ARG A 93 100.307 -6.232 -7.186 1.00 0.00 C ATOM 1457 CG ARG A 93 100.749 -6.795 -8.539 1.00 0.00 C ATOM 1458 CD ARG A 93 101.845 -5.907 -9.128 1.00 0.00 C ATOM 1459 NE ARG A 93 102.896 -5.664 -8.099 1.00 0.00 N ATOM 1460 CZ ARG A 93 104.108 -5.354 -8.466 1.00 0.00 C ATOM 1461 NH1 ARG A 93 105.028 -5.141 -7.564 1.00 0.00 N ATOM 1462 NH2 ARG A 93 104.402 -5.256 -9.733 1.00 0.00 N ATOM 0 H ARG A 93 99.387 -8.503 -8.074 1.00 0.00 H new ATOM 0 HA ARG A 93 98.837 -6.776 -5.705 1.00 0.00 H new ATOM 0 HB2 ARG A 93 100.210 -5.148 -7.246 1.00 0.00 H new ATOM 0 HB3 ARG A 93 101.062 -6.443 -6.428 1.00 0.00 H new ATOM 0 HG2 ARG A 93 101.118 -7.814 -8.418 1.00 0.00 H new ATOM 0 HG3 ARG A 93 99.899 -6.842 -9.220 1.00 0.00 H new ATOM 0 HD2 ARG A 93 102.283 -6.385 -10.004 1.00 0.00 H new ATOM 0 HD3 ARG A 93 101.421 -4.960 -9.460 1.00 0.00 H new ATOM 0 HE ARG A 93 102.667 -5.740 -7.108 1.00 0.00 H new ATOM 0 HH11 ARG A 93 104.798 -5.217 -6.573 1.00 0.00 H new ATOM 0 HH12 ARG A 93 105.976 -4.898 -7.850 1.00 0.00 H new ATOM 0 HH21 ARG A 93 103.683 -5.422 -10.438 1.00 0.00 H new ATOM 0 HH22 ARG A 93 105.350 -5.013 -10.019 1.00 0.00 H new ATOM 1476 N GLU A 94 96.786 -5.797 -6.779 1.00 0.00 N ATOM 1477 CA GLU A 94 95.645 -5.078 -7.412 1.00 0.00 C ATOM 1478 C GLU A 94 95.906 -3.570 -7.366 1.00 0.00 C ATOM 1479 O GLU A 94 96.532 -3.065 -6.456 1.00 0.00 O ATOM 1480 CB GLU A 94 94.358 -5.396 -6.651 1.00 0.00 C ATOM 1481 CG GLU A 94 94.021 -6.880 -6.813 1.00 0.00 C ATOM 1482 CD GLU A 94 92.630 -7.154 -6.240 1.00 0.00 C ATOM 1483 OE1 GLU A 94 91.664 -6.937 -6.953 1.00 0.00 O ATOM 1484 OE2 GLU A 94 92.554 -7.577 -5.098 1.00 0.00 O ATOM 0 H GLU A 94 96.674 -5.999 -5.785 1.00 0.00 H new ATOM 0 HA GLU A 94 95.542 -5.398 -8.449 1.00 0.00 H new ATOM 0 HB2 GLU A 94 94.478 -5.153 -5.595 1.00 0.00 H new ATOM 0 HB3 GLU A 94 93.539 -4.783 -7.028 1.00 0.00 H new ATOM 0 HG2 GLU A 94 94.053 -7.158 -7.866 1.00 0.00 H new ATOM 0 HG3 GLU A 94 94.764 -7.490 -6.300 1.00 0.00 H new ATOM 1491 N VAL A 95 95.431 -2.846 -8.344 1.00 0.00 N ATOM 1492 CA VAL A 95 95.650 -1.375 -8.360 1.00 0.00 C ATOM 1493 C VAL A 95 94.343 -0.668 -8.729 1.00 0.00 C ATOM 1494 O VAL A 95 93.422 -1.272 -9.240 1.00 0.00 O ATOM 1495 CB VAL A 95 96.725 -1.031 -9.391 1.00 0.00 C ATOM 1496 CG1 VAL A 95 97.257 0.379 -9.125 1.00 0.00 C ATOM 1497 CG2 VAL A 95 97.873 -2.036 -9.282 1.00 0.00 C ATOM 0 H VAL A 95 94.900 -3.213 -9.133 1.00 0.00 H new ATOM 0 HA VAL A 95 95.975 -1.045 -7.373 1.00 0.00 H new ATOM 0 HB VAL A 95 96.295 -1.074 -10.392 1.00 0.00 H new ATOM 0 HG11 VAL A 95 98.023 0.623 -9.860 1.00 0.00 H new ATOM 0 HG12 VAL A 95 96.440 1.096 -9.200 1.00 0.00 H new ATOM 0 HG13 VAL A 95 97.687 0.423 -8.124 1.00 0.00 H new ATOM 0 HG21 VAL A 95 98.641 -1.792 -10.016 1.00 0.00 H new ATOM 0 HG22 VAL A 95 98.302 -1.992 -8.281 1.00 0.00 H new ATOM 0 HG23 VAL A 95 97.496 -3.041 -9.471 1.00 0.00 H new ATOM 1507 N GLN A 96 94.256 0.609 -8.473 1.00 0.00 N ATOM 1508 CA GLN A 96 93.011 1.354 -8.809 1.00 0.00 C ATOM 1509 C GLN A 96 92.949 1.593 -10.318 1.00 0.00 C ATOM 1510 O GLN A 96 93.868 2.125 -10.910 1.00 0.00 O ATOM 1511 CB GLN A 96 93.009 2.698 -8.080 1.00 0.00 C ATOM 1512 CG GLN A 96 91.895 3.584 -8.644 1.00 0.00 C ATOM 1513 CD GLN A 96 90.596 2.781 -8.725 1.00 0.00 C ATOM 1514 OE1 GLN A 96 90.152 2.428 -9.799 1.00 0.00 O ATOM 1515 NE2 GLN A 96 89.962 2.475 -7.625 1.00 0.00 N ATOM 0 H GLN A 96 94.994 1.168 -8.045 1.00 0.00 H new ATOM 0 HA GLN A 96 92.144 0.770 -8.499 1.00 0.00 H new ATOM 0 HB2 GLN A 96 92.859 2.544 -7.011 1.00 0.00 H new ATOM 0 HB3 GLN A 96 93.975 3.190 -8.199 1.00 0.00 H new ATOM 0 HG2 GLN A 96 91.755 4.459 -8.009 1.00 0.00 H new ATOM 0 HG3 GLN A 96 92.172 3.949 -9.633 1.00 0.00 H new ATOM 0 HE21 GLN A 96 90.334 2.771 -6.723 1.00 0.00 H new ATOM 0 HE22 GLN A 96 89.095 1.940 -7.668 1.00 0.00 H new ATOM 1524 N GLY A 97 91.872 1.206 -10.945 1.00 0.00 N ATOM 1525 CA GLY A 97 91.746 1.410 -12.419 1.00 0.00 C ATOM 1526 C GLY A 97 91.538 0.060 -13.107 1.00 0.00 C ATOM 1527 O GLY A 97 91.490 -0.029 -14.317 1.00 0.00 O ATOM 0 H GLY A 97 91.072 0.756 -10.501 1.00 0.00 H new ATOM 0 HA2 GLY A 97 90.908 2.072 -12.634 1.00 0.00 H new ATOM 0 HA3 GLY A 97 92.642 1.893 -12.808 1.00 0.00 H new ATOM 1531 N PHE A 98 91.412 -0.992 -12.346 1.00 0.00 N ATOM 1532 CA PHE A 98 91.206 -2.334 -12.958 1.00 0.00 C ATOM 1533 C PHE A 98 90.941 -3.361 -11.856 1.00 0.00 C ATOM 1534 O PHE A 98 90.182 -4.294 -12.034 1.00 0.00 O ATOM 1535 CB PHE A 98 92.458 -2.735 -13.741 1.00 0.00 C ATOM 1536 CG PHE A 98 92.378 -4.198 -14.108 1.00 0.00 C ATOM 1537 CD1 PHE A 98 91.375 -4.647 -14.976 1.00 0.00 C ATOM 1538 CD2 PHE A 98 93.307 -5.104 -13.581 1.00 0.00 C ATOM 1539 CE1 PHE A 98 91.302 -6.002 -15.317 1.00 0.00 C ATOM 1540 CE2 PHE A 98 93.231 -6.459 -13.923 1.00 0.00 C ATOM 1541 CZ PHE A 98 92.230 -6.909 -14.791 1.00 0.00 C ATOM 0 H PHE A 98 91.443 -0.980 -11.327 1.00 0.00 H new ATOM 0 HA PHE A 98 90.352 -2.299 -13.634 1.00 0.00 H new ATOM 0 HB2 PHE A 98 92.546 -2.128 -14.642 1.00 0.00 H new ATOM 0 HB3 PHE A 98 93.349 -2.548 -13.142 1.00 0.00 H new ATOM 0 HD1 PHE A 98 90.659 -3.948 -15.382 1.00 0.00 H new ATOM 0 HD2 PHE A 98 94.081 -4.758 -12.912 1.00 0.00 H new ATOM 0 HE1 PHE A 98 90.529 -6.349 -15.987 1.00 0.00 H new ATOM 0 HE2 PHE A 98 93.946 -7.159 -13.516 1.00 0.00 H new ATOM 0 HZ PHE A 98 92.173 -7.955 -15.055 1.00 0.00 H new ATOM 1551 N GLU A 99 91.561 -3.198 -10.721 1.00 0.00 N ATOM 1552 CA GLU A 99 91.345 -4.163 -9.607 1.00 0.00 C ATOM 1553 C GLU A 99 91.316 -5.588 -10.162 1.00 0.00 C ATOM 1554 O GLU A 99 91.872 -5.867 -11.206 1.00 0.00 O ATOM 1555 CB GLU A 99 90.014 -3.858 -8.917 1.00 0.00 C ATOM 1556 CG GLU A 99 90.001 -2.399 -8.457 1.00 0.00 C ATOM 1557 CD GLU A 99 89.022 -2.239 -7.291 1.00 0.00 C ATOM 1558 OE1 GLU A 99 88.214 -1.328 -7.343 1.00 0.00 O ATOM 1559 OE2 GLU A 99 89.098 -3.032 -6.367 1.00 0.00 O ATOM 0 H GLU A 99 92.209 -2.437 -10.516 1.00 0.00 H new ATOM 0 HA GLU A 99 92.158 -4.071 -8.886 1.00 0.00 H new ATOM 0 HB2 GLU A 99 89.186 -4.042 -9.602 1.00 0.00 H new ATOM 0 HB3 GLU A 99 89.874 -4.521 -8.063 1.00 0.00 H new ATOM 0 HG2 GLU A 99 91.002 -2.095 -8.150 1.00 0.00 H new ATOM 0 HG3 GLU A 99 89.709 -1.749 -9.282 1.00 0.00 H new ATOM 1566 N SER A 100 90.671 -6.490 -9.475 1.00 0.00 N ATOM 1567 CA SER A 100 90.603 -7.897 -9.961 1.00 0.00 C ATOM 1568 C SER A 100 89.149 -8.372 -9.948 1.00 0.00 C ATOM 1569 O SER A 100 88.427 -8.164 -8.992 1.00 0.00 O ATOM 1570 CB SER A 100 91.438 -8.794 -9.047 1.00 0.00 C ATOM 1571 OG SER A 100 90.794 -8.910 -7.786 1.00 0.00 O ATOM 0 H SER A 100 90.187 -6.313 -8.595 1.00 0.00 H new ATOM 0 HA SER A 100 90.994 -7.948 -10.977 1.00 0.00 H new ATOM 0 HB2 SER A 100 91.560 -9.779 -9.498 1.00 0.00 H new ATOM 0 HB3 SER A 100 92.436 -8.375 -8.921 1.00 0.00 H new ATOM 0 HG SER A 100 90.799 -8.040 -7.335 1.00 0.00 H new ATOM 1577 N ALA A 101 88.713 -9.007 -11.001 1.00 0.00 N ATOM 1578 CA ALA A 101 87.305 -9.493 -11.047 1.00 0.00 C ATOM 1579 C ALA A 101 86.954 -10.159 -9.715 1.00 0.00 C ATOM 1580 O ALA A 101 85.853 -10.032 -9.217 1.00 0.00 O ATOM 1581 CB ALA A 101 87.153 -10.509 -12.181 1.00 0.00 C ATOM 0 H ALA A 101 89.270 -9.210 -11.831 1.00 0.00 H new ATOM 0 HA ALA A 101 86.634 -8.652 -11.221 1.00 0.00 H new ATOM 0 HB1 ALA A 101 86.123 -10.865 -12.215 1.00 0.00 H new ATOM 0 HB2 ALA A 101 87.405 -10.036 -13.130 1.00 0.00 H new ATOM 0 HB3 ALA A 101 87.822 -11.351 -12.007 1.00 0.00 H new ATOM 1587 N THR A 102 87.883 -10.867 -9.132 1.00 0.00 N ATOM 1588 CA THR A 102 87.601 -11.540 -7.833 1.00 0.00 C ATOM 1589 C THR A 102 87.118 -10.503 -6.820 1.00 0.00 C ATOM 1590 O THR A 102 86.122 -10.690 -6.149 1.00 0.00 O ATOM 1591 CB THR A 102 88.877 -12.207 -7.315 1.00 0.00 C ATOM 1592 OG1 THR A 102 89.635 -12.692 -8.415 1.00 0.00 O ATOM 1593 CG2 THR A 102 88.510 -13.370 -6.393 1.00 0.00 C ATOM 0 H THR A 102 88.824 -11.008 -9.499 1.00 0.00 H new ATOM 0 HA THR A 102 86.830 -12.297 -7.974 1.00 0.00 H new ATOM 0 HB THR A 102 89.468 -11.479 -6.758 1.00 0.00 H new ATOM 0 HG1 THR A 102 90.454 -13.118 -8.086 1.00 0.00 H new ATOM 0 HG21 THR A 102 89.420 -13.844 -6.025 1.00 0.00 H new ATOM 0 HG22 THR A 102 87.929 -12.996 -5.550 1.00 0.00 H new ATOM 0 HG23 THR A 102 87.919 -14.100 -6.946 1.00 0.00 H new ATOM 1601 N PHE A 103 87.814 -9.409 -6.707 1.00 0.00 N ATOM 1602 CA PHE A 103 87.399 -8.355 -5.740 1.00 0.00 C ATOM 1603 C PHE A 103 86.021 -7.819 -6.140 1.00 0.00 C ATOM 1604 O PHE A 103 85.091 -7.825 -5.358 1.00 0.00 O ATOM 1605 CB PHE A 103 88.421 -7.212 -5.759 1.00 0.00 C ATOM 1606 CG PHE A 103 89.347 -7.339 -4.570 1.00 0.00 C ATOM 1607 CD1 PHE A 103 89.736 -6.195 -3.863 1.00 0.00 C ATOM 1608 CD2 PHE A 103 89.813 -8.598 -4.175 1.00 0.00 C ATOM 1609 CE1 PHE A 103 90.592 -6.310 -2.760 1.00 0.00 C ATOM 1610 CE2 PHE A 103 90.668 -8.714 -3.073 1.00 0.00 C ATOM 1611 CZ PHE A 103 91.058 -7.571 -2.366 1.00 0.00 C ATOM 0 H PHE A 103 88.655 -9.197 -7.244 1.00 0.00 H new ATOM 0 HA PHE A 103 87.350 -8.777 -4.736 1.00 0.00 H new ATOM 0 HB2 PHE A 103 88.996 -7.240 -6.685 1.00 0.00 H new ATOM 0 HB3 PHE A 103 87.907 -6.251 -5.732 1.00 0.00 H new ATOM 0 HD1 PHE A 103 89.376 -5.223 -4.168 1.00 0.00 H new ATOM 0 HD2 PHE A 103 89.513 -9.480 -4.721 1.00 0.00 H new ATOM 0 HE1 PHE A 103 90.892 -5.428 -2.214 1.00 0.00 H new ATOM 0 HE2 PHE A 103 91.027 -9.686 -2.768 1.00 0.00 H new ATOM 0 HZ PHE A 103 91.719 -7.661 -1.516 1.00 0.00 H new ATOM 1621 N LEU A 104 85.885 -7.354 -7.351 1.00 0.00 N ATOM 1622 CA LEU A 104 84.568 -6.821 -7.799 1.00 0.00 C ATOM 1623 C LEU A 104 83.466 -7.810 -7.413 1.00 0.00 C ATOM 1624 O LEU A 104 82.325 -7.439 -7.220 1.00 0.00 O ATOM 1625 CB LEU A 104 84.581 -6.636 -9.318 1.00 0.00 C ATOM 1626 CG LEU A 104 85.349 -5.360 -9.671 1.00 0.00 C ATOM 1627 CD1 LEU A 104 85.929 -5.486 -11.080 1.00 0.00 C ATOM 1628 CD2 LEU A 104 84.397 -4.162 -9.620 1.00 0.00 C ATOM 0 H LEU A 104 86.628 -7.320 -8.049 1.00 0.00 H new ATOM 0 HA LEU A 104 84.380 -5.860 -7.321 1.00 0.00 H new ATOM 0 HB2 LEU A 104 85.047 -7.498 -9.796 1.00 0.00 H new ATOM 0 HB3 LEU A 104 83.561 -6.575 -9.696 1.00 0.00 H new ATOM 0 HG LEU A 104 86.159 -5.215 -8.956 1.00 0.00 H new ATOM 0 HD11 LEU A 104 86.476 -4.577 -11.331 1.00 0.00 H new ATOM 0 HD12 LEU A 104 86.606 -6.339 -11.120 1.00 0.00 H new ATOM 0 HD13 LEU A 104 85.119 -5.631 -11.795 1.00 0.00 H new ATOM 0 HD21 LEU A 104 84.943 -3.253 -9.871 1.00 0.00 H new ATOM 0 HD22 LEU A 104 83.588 -4.309 -10.336 1.00 0.00 H new ATOM 0 HD23 LEU A 104 83.981 -4.070 -8.617 1.00 0.00 H new ATOM 1640 N GLY A 105 83.799 -9.066 -7.297 1.00 0.00 N ATOM 1641 CA GLY A 105 82.774 -10.078 -6.922 1.00 0.00 C ATOM 1642 C GLY A 105 82.651 -10.138 -5.398 1.00 0.00 C ATOM 1643 O GLY A 105 81.568 -10.248 -4.857 1.00 0.00 O ATOM 0 H GLY A 105 84.738 -9.435 -7.446 1.00 0.00 H new ATOM 0 HA2 GLY A 105 81.812 -9.819 -7.365 1.00 0.00 H new ATOM 0 HA3 GLY A 105 83.053 -11.056 -7.314 1.00 0.00 H new ATOM 1647 N TYR A 106 83.752 -10.063 -4.702 1.00 0.00 N ATOM 1648 CA TYR A 106 83.696 -10.114 -3.214 1.00 0.00 C ATOM 1649 C TYR A 106 82.691 -9.078 -2.710 1.00 0.00 C ATOM 1650 O TYR A 106 81.860 -9.360 -1.869 1.00 0.00 O ATOM 1651 CB TYR A 106 85.082 -9.801 -2.638 1.00 0.00 C ATOM 1652 CG TYR A 106 85.863 -11.083 -2.471 1.00 0.00 C ATOM 1653 CD1 TYR A 106 85.777 -12.089 -3.441 1.00 0.00 C ATOM 1654 CD2 TYR A 106 86.674 -11.266 -1.344 1.00 0.00 C ATOM 1655 CE1 TYR A 106 86.501 -13.276 -3.284 1.00 0.00 C ATOM 1656 CE2 TYR A 106 87.398 -12.452 -1.188 1.00 0.00 C ATOM 1657 CZ TYR A 106 87.313 -13.458 -2.158 1.00 0.00 C ATOM 1658 OH TYR A 106 88.025 -14.630 -2.004 1.00 0.00 O ATOM 0 H TYR A 106 84.687 -9.969 -5.099 1.00 0.00 H new ATOM 0 HA TYR A 106 83.387 -11.110 -2.895 1.00 0.00 H new ATOM 0 HB2 TYR A 106 85.617 -9.121 -3.301 1.00 0.00 H new ATOM 0 HB3 TYR A 106 84.982 -9.296 -1.677 1.00 0.00 H new ATOM 0 HD1 TYR A 106 85.152 -11.949 -4.310 1.00 0.00 H new ATOM 0 HD2 TYR A 106 86.740 -10.491 -0.595 1.00 0.00 H new ATOM 0 HE1 TYR A 106 86.433 -14.052 -4.032 1.00 0.00 H new ATOM 0 HE2 TYR A 106 88.023 -12.592 -0.319 1.00 0.00 H new ATOM 0 HH TYR A 106 88.955 -14.486 -2.277 1.00 0.00 H new ATOM 1668 N PHE A 107 82.762 -7.881 -3.219 1.00 0.00 N ATOM 1669 CA PHE A 107 81.815 -6.824 -2.775 1.00 0.00 C ATOM 1670 C PHE A 107 81.360 -6.002 -3.983 1.00 0.00 C ATOM 1671 O PHE A 107 82.086 -5.838 -4.943 1.00 0.00 O ATOM 1672 CB PHE A 107 82.510 -5.907 -1.764 1.00 0.00 C ATOM 1673 CG PHE A 107 83.481 -6.715 -0.937 1.00 0.00 C ATOM 1674 CD1 PHE A 107 83.002 -7.638 0.001 1.00 0.00 C ATOM 1675 CD2 PHE A 107 84.859 -6.542 -1.108 1.00 0.00 C ATOM 1676 CE1 PHE A 107 83.902 -8.387 0.767 1.00 0.00 C ATOM 1677 CE2 PHE A 107 85.759 -7.291 -0.341 1.00 0.00 C ATOM 1678 CZ PHE A 107 85.281 -8.213 0.597 1.00 0.00 C ATOM 0 H PHE A 107 83.437 -7.589 -3.925 1.00 0.00 H new ATOM 0 HA PHE A 107 80.947 -7.289 -2.307 1.00 0.00 H new ATOM 0 HB2 PHE A 107 83.037 -5.107 -2.284 1.00 0.00 H new ATOM 0 HB3 PHE A 107 81.771 -5.434 -1.118 1.00 0.00 H new ATOM 0 HD1 PHE A 107 81.938 -7.772 0.133 1.00 0.00 H new ATOM 0 HD2 PHE A 107 85.228 -5.831 -1.832 1.00 0.00 H new ATOM 0 HE1 PHE A 107 83.533 -9.100 1.490 1.00 0.00 H new ATOM 0 HE2 PHE A 107 86.823 -7.157 -0.473 1.00 0.00 H new ATOM 0 HZ PHE A 107 85.975 -8.790 1.190 1.00 0.00 H new ATOM 1688 N LYS A 108 80.163 -5.482 -3.941 1.00 0.00 N ATOM 1689 CA LYS A 108 79.662 -4.671 -5.086 1.00 0.00 C ATOM 1690 C LYS A 108 79.763 -3.184 -4.735 1.00 0.00 C ATOM 1691 O LYS A 108 80.393 -2.413 -5.432 1.00 0.00 O ATOM 1692 CB LYS A 108 78.197 -5.035 -5.366 1.00 0.00 C ATOM 1693 CG LYS A 108 78.094 -5.788 -6.697 1.00 0.00 C ATOM 1694 CD LYS A 108 78.163 -4.793 -7.860 1.00 0.00 C ATOM 1695 CE LYS A 108 76.921 -3.898 -7.850 1.00 0.00 C ATOM 1696 NZ LYS A 108 76.528 -3.579 -9.252 1.00 0.00 N ATOM 0 H LYS A 108 79.511 -5.584 -3.163 1.00 0.00 H new ATOM 0 HA LYS A 108 80.262 -4.877 -5.972 1.00 0.00 H new ATOM 0 HB2 LYS A 108 77.805 -5.652 -4.557 1.00 0.00 H new ATOM 0 HB3 LYS A 108 77.589 -4.131 -5.401 1.00 0.00 H new ATOM 0 HG2 LYS A 108 78.903 -6.514 -6.779 1.00 0.00 H new ATOM 0 HG3 LYS A 108 77.159 -6.346 -6.739 1.00 0.00 H new ATOM 0 HD2 LYS A 108 79.063 -4.183 -7.776 1.00 0.00 H new ATOM 0 HD3 LYS A 108 78.228 -5.330 -8.807 1.00 0.00 H new ATOM 0 HE2 LYS A 108 76.101 -4.401 -7.337 1.00 0.00 H new ATOM 0 HE3 LYS A 108 77.126 -2.979 -7.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 75.684 -2.971 -9.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 77.309 -3.083 -9.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 76.316 -4.460 -9.762 1.00 0.00 H new ATOM 1710 N SER A 109 79.149 -2.775 -3.658 1.00 0.00 N ATOM 1711 CA SER A 109 79.210 -1.340 -3.262 1.00 0.00 C ATOM 1712 C SER A 109 80.202 -1.170 -2.110 1.00 0.00 C ATOM 1713 O SER A 109 80.783 -0.118 -1.927 1.00 0.00 O ATOM 1714 CB SER A 109 77.824 -0.875 -2.814 1.00 0.00 C ATOM 1715 OG SER A 109 76.851 -1.341 -3.740 1.00 0.00 O ATOM 0 H SER A 109 78.607 -3.374 -3.035 1.00 0.00 H new ATOM 0 HA SER A 109 79.536 -0.742 -4.113 1.00 0.00 H new ATOM 0 HB2 SER A 109 77.605 -1.255 -1.816 1.00 0.00 H new ATOM 0 HB3 SER A 109 77.794 0.213 -2.754 1.00 0.00 H new ATOM 0 HG SER A 109 75.961 -1.046 -3.455 1.00 0.00 H new ATOM 1721 N GLY A 110 80.400 -2.197 -1.328 1.00 0.00 N ATOM 1722 CA GLY A 110 81.354 -2.094 -0.188 1.00 0.00 C ATOM 1723 C GLY A 110 82.612 -1.350 -0.639 1.00 0.00 C ATOM 1724 O GLY A 110 82.956 -0.313 -0.107 1.00 0.00 O ATOM 0 H GLY A 110 79.942 -3.103 -1.430 1.00 0.00 H new ATOM 0 HA2 GLY A 110 80.887 -1.568 0.644 1.00 0.00 H new ATOM 0 HA3 GLY A 110 81.617 -3.089 0.171 1.00 0.00 H new ATOM 1728 N LEU A 111 83.300 -1.869 -1.619 1.00 0.00 N ATOM 1729 CA LEU A 111 84.534 -1.191 -2.104 1.00 0.00 C ATOM 1730 C LEU A 111 84.269 0.309 -2.245 1.00 0.00 C ATOM 1731 O LEU A 111 83.261 0.723 -2.782 1.00 0.00 O ATOM 1732 CB LEU A 111 84.934 -1.769 -3.464 1.00 0.00 C ATOM 1733 CG LEU A 111 85.371 -3.225 -3.293 1.00 0.00 C ATOM 1734 CD1 LEU A 111 85.124 -3.990 -4.594 1.00 0.00 C ATOM 1735 CD2 LEU A 111 86.863 -3.273 -2.951 1.00 0.00 C ATOM 0 H LEU A 111 83.060 -2.733 -2.104 1.00 0.00 H new ATOM 0 HA LEU A 111 85.342 -1.352 -1.390 1.00 0.00 H new ATOM 0 HB2 LEU A 111 84.095 -1.709 -4.157 1.00 0.00 H new ATOM 0 HB3 LEU A 111 85.746 -1.183 -3.895 1.00 0.00 H new ATOM 0 HG LEU A 111 84.797 -3.683 -2.488 1.00 0.00 H new ATOM 0 HD11 LEU A 111 85.436 -5.027 -4.471 1.00 0.00 H new ATOM 0 HD12 LEU A 111 84.063 -3.957 -4.840 1.00 0.00 H new ATOM 0 HD13 LEU A 111 85.697 -3.532 -5.400 1.00 0.00 H new ATOM 0 HD21 LEU A 111 87.175 -4.310 -2.829 1.00 0.00 H new ATOM 0 HD22 LEU A 111 87.436 -2.814 -3.757 1.00 0.00 H new ATOM 0 HD23 LEU A 111 87.041 -2.729 -2.023 1.00 0.00 H new ATOM 1747 N LYS A 112 85.168 1.128 -1.770 1.00 0.00 N ATOM 1748 CA LYS A 112 84.967 2.599 -1.879 1.00 0.00 C ATOM 1749 C LYS A 112 86.329 3.295 -1.945 1.00 0.00 C ATOM 1750 O LYS A 112 87.145 3.168 -1.054 1.00 0.00 O ATOM 1751 CB LYS A 112 84.192 3.101 -0.659 1.00 0.00 C ATOM 1752 CG LYS A 112 82.690 3.056 -0.950 1.00 0.00 C ATOM 1753 CD LYS A 112 81.921 3.652 0.231 1.00 0.00 C ATOM 1754 CE LYS A 112 80.582 4.208 -0.258 1.00 0.00 C ATOM 1755 NZ LYS A 112 80.162 3.483 -1.489 1.00 0.00 N ATOM 0 H LYS A 112 86.033 0.841 -1.311 1.00 0.00 H new ATOM 0 HA LYS A 112 84.401 2.823 -2.783 1.00 0.00 H new ATOM 0 HB2 LYS A 112 84.423 2.485 0.210 1.00 0.00 H new ATOM 0 HB3 LYS A 112 84.495 4.120 -0.417 1.00 0.00 H new ATOM 0 HG2 LYS A 112 82.469 3.614 -1.860 1.00 0.00 H new ATOM 0 HG3 LYS A 112 82.373 2.027 -1.122 1.00 0.00 H new ATOM 0 HD2 LYS A 112 81.754 2.889 0.992 1.00 0.00 H new ATOM 0 HD3 LYS A 112 82.507 4.444 0.697 1.00 0.00 H new ATOM 0 HE2 LYS A 112 79.825 4.097 0.518 1.00 0.00 H new ATOM 0 HE3 LYS A 112 80.673 5.274 -0.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 79.136 3.589 -1.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 80.660 3.879 -2.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 80.397 2.474 -1.395 1.00 0.00 H new ATOM 1769 N TYR A 113 86.578 4.032 -2.992 1.00 0.00 N ATOM 1770 CA TYR A 113 87.885 4.736 -3.115 1.00 0.00 C ATOM 1771 C TYR A 113 87.725 6.190 -2.664 1.00 0.00 C ATOM 1772 O TYR A 113 86.854 6.901 -3.125 1.00 0.00 O ATOM 1773 CB TYR A 113 88.349 4.700 -4.573 1.00 0.00 C ATOM 1774 CG TYR A 113 87.797 3.467 -5.248 1.00 0.00 C ATOM 1775 CD1 TYR A 113 87.117 3.580 -6.467 1.00 0.00 C ATOM 1776 CD2 TYR A 113 87.963 2.212 -4.653 1.00 0.00 C ATOM 1777 CE1 TYR A 113 86.605 2.436 -7.092 1.00 0.00 C ATOM 1778 CE2 TYR A 113 87.451 1.068 -5.278 1.00 0.00 C ATOM 1779 CZ TYR A 113 86.772 1.181 -6.496 1.00 0.00 C ATOM 1780 OH TYR A 113 86.267 0.052 -7.111 1.00 0.00 O ATOM 0 H TYR A 113 85.932 4.177 -3.768 1.00 0.00 H new ATOM 0 HA TYR A 113 88.626 4.241 -2.487 1.00 0.00 H new ATOM 0 HB2 TYR A 113 88.011 5.595 -5.095 1.00 0.00 H new ATOM 0 HB3 TYR A 113 89.438 4.696 -4.619 1.00 0.00 H new ATOM 0 HD1 TYR A 113 86.987 4.549 -6.925 1.00 0.00 H new ATOM 0 HD2 TYR A 113 88.486 2.125 -3.712 1.00 0.00 H new ATOM 0 HE1 TYR A 113 86.082 2.522 -8.033 1.00 0.00 H new ATOM 0 HE2 TYR A 113 87.580 0.099 -4.820 1.00 0.00 H new ATOM 0 HH TYR A 113 86.875 -0.702 -6.961 1.00 0.00 H new ATOM 1790 N LYS A 114 88.560 6.637 -1.766 1.00 0.00 N ATOM 1791 CA LYS A 114 88.455 8.045 -1.285 1.00 0.00 C ATOM 1792 C LYS A 114 89.850 8.670 -1.230 1.00 0.00 C ATOM 1793 O LYS A 114 90.792 8.073 -0.744 1.00 0.00 O ATOM 1794 CB LYS A 114 87.834 8.062 0.114 1.00 0.00 C ATOM 1795 CG LYS A 114 86.307 8.079 -0.004 1.00 0.00 C ATOM 1796 CD LYS A 114 85.689 8.236 1.388 1.00 0.00 C ATOM 1797 CE LYS A 114 85.584 9.723 1.737 1.00 0.00 C ATOM 1798 NZ LYS A 114 85.616 9.890 3.218 1.00 0.00 N ATOM 0 H LYS A 114 89.310 6.089 -1.345 1.00 0.00 H new ATOM 0 HA LYS A 114 87.827 8.616 -1.969 1.00 0.00 H new ATOM 0 HB2 LYS A 114 88.156 7.186 0.677 1.00 0.00 H new ATOM 0 HB3 LYS A 114 88.176 8.938 0.665 1.00 0.00 H new ATOM 0 HG2 LYS A 114 85.991 8.899 -0.649 1.00 0.00 H new ATOM 0 HG3 LYS A 114 85.957 7.156 -0.467 1.00 0.00 H new ATOM 0 HD2 LYS A 114 84.701 7.775 1.413 1.00 0.00 H new ATOM 0 HD3 LYS A 114 86.300 7.720 2.129 1.00 0.00 H new ATOM 0 HE2 LYS A 114 86.407 10.273 1.281 1.00 0.00 H new ATOM 0 HE3 LYS A 114 84.660 10.138 1.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 85.545 10.900 3.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 84.817 9.377 3.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 86.509 9.509 3.591 1.00 0.00 H new ATOM 1812 N LYS A 115 89.994 9.869 -1.727 1.00 0.00 N ATOM 1813 CA LYS A 115 91.329 10.530 -1.702 1.00 0.00 C ATOM 1814 C LYS A 115 91.733 10.811 -0.253 1.00 0.00 C ATOM 1815 O LYS A 115 90.910 11.133 0.580 1.00 0.00 O ATOM 1816 CB LYS A 115 91.257 11.849 -2.475 1.00 0.00 C ATOM 1817 CG LYS A 115 91.384 11.571 -3.974 1.00 0.00 C ATOM 1818 CD LYS A 115 90.882 12.782 -4.765 1.00 0.00 C ATOM 1819 CE LYS A 115 89.369 12.672 -4.961 1.00 0.00 C ATOM 1820 NZ LYS A 115 88.901 13.781 -5.841 1.00 0.00 N ATOM 0 H LYS A 115 89.245 10.418 -2.149 1.00 0.00 H new ATOM 0 HA LYS A 115 92.068 9.875 -2.164 1.00 0.00 H new ATOM 0 HB2 LYS A 115 90.313 12.353 -2.267 1.00 0.00 H new ATOM 0 HB3 LYS A 115 92.054 12.517 -2.150 1.00 0.00 H new ATOM 0 HG2 LYS A 115 92.423 11.363 -4.229 1.00 0.00 H new ATOM 0 HG3 LYS A 115 90.807 10.685 -4.240 1.00 0.00 H new ATOM 0 HD2 LYS A 115 91.125 13.703 -4.234 1.00 0.00 H new ATOM 0 HD3 LYS A 115 91.382 12.831 -5.732 1.00 0.00 H new ATOM 0 HE2 LYS A 115 89.118 11.709 -5.406 1.00 0.00 H new ATOM 0 HE3 LYS A 115 88.862 12.719 -3.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 87.872 13.707 -5.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 89.128 14.694 -5.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 89.376 13.716 -6.764 1.00 0.00 H new