USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 726 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 78 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 87 SER OG : rot 10:sc= -2.73 USER MOD Set 2.1: A 57 GLN : amide:sc= -0.121 K(o=-0.96,f=0.71) USER MOD Set 2.2: A 62 CYS SG : rot 100:sc= -0.834 USER MOD Set 3.1: A 30 CYS SG : rot -98:sc= -1.17 USER MOD Set 3.2: A 79 CYS SG : rot 98:sc= -0.232 USER MOD Set 4.1: A 25 THR OG1 : rot -140:sc= 1.18 USER MOD Set 4.2: A 65 GLN : amide:sc= 0 X(o=1.9,f=1.7) USER MOD Set 4.3: A 67 CYS SG : rot 180:sc= 0.69 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -57:sc= 0.212 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -4.46! C(o=-4.5!,f=-6.9!) USER MOD Single : A 17 HIS : no HD1:sc= -0.588 X(o=-0.59,f=-0.2) USER MOD Single : A 18 GLN : amide:sc= -0.806 K(o=-0.81,f=-2.5!) USER MOD Single : A 20 SER OG : rot -170:sc= -0.309 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0494 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00176) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 54 SER OG : rot 63:sc= 0.0174 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot -122:sc= -0.192 USER MOD Single : A 86 THR OG1 : rot -110:sc= -0.286 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 45:sc= 0.554 USER MOD Single : A 100 SER OG : rot 25:sc= 0.937 USER MOD Single : A 101 SER OG : rot 180:sc= -0.0228 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.722 29.069 -4.947 1.00 0.00 N ATOM 2 CA GLY A 1 2.886 28.593 -5.671 1.00 0.00 C ATOM 3 C GLY A 1 2.554 28.169 -7.088 1.00 0.00 C ATOM 4 O GLY A 1 1.639 27.374 -7.307 1.00 0.00 O ATOM 0 H1 GLY A 1 2.001 29.347 -3.984 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.318 29.890 -5.441 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.011 28.312 -4.896 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.640 29.380 -5.698 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.323 27.750 -5.136 1.00 0.00 H new ATOM 8 N SER A 2 3.297 28.700 -8.053 1.00 0.00 N ATOM 9 CA SER A 2 3.073 28.376 -9.457 1.00 0.00 C ATOM 10 C SER A 2 3.327 26.895 -9.720 1.00 0.00 C ATOM 11 O SER A 2 2.526 26.222 -10.368 1.00 0.00 O ATOM 12 CB SER A 2 3.978 29.227 -10.349 1.00 0.00 C ATOM 13 OG SER A 2 3.680 30.606 -10.212 1.00 0.00 O ATOM 0 H SER A 2 4.060 29.357 -7.888 1.00 0.00 H new ATOM 0 HA SER A 2 2.032 28.595 -9.694 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.021 29.050 -10.088 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.854 28.927 -11.390 1.00 0.00 H new ATOM 0 HG SER A 2 4.274 31.128 -10.791 1.00 0.00 H new ATOM 19 N SER A 3 4.449 26.395 -9.211 1.00 0.00 N ATOM 20 CA SER A 3 4.812 24.994 -9.394 1.00 0.00 C ATOM 21 C SER A 3 4.799 24.251 -8.061 1.00 0.00 C ATOM 22 O SER A 3 5.748 23.547 -7.720 1.00 0.00 O ATOM 23 CB SER A 3 6.196 24.884 -10.038 1.00 0.00 C ATOM 24 OG SER A 3 6.468 23.552 -10.436 1.00 0.00 O ATOM 0 H SER A 3 5.121 26.938 -8.670 1.00 0.00 H new ATOM 0 HA SER A 3 4.074 24.536 -10.053 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.251 25.544 -10.904 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.957 25.219 -9.333 1.00 0.00 H new ATOM 0 HG SER A 3 6.389 22.957 -9.662 1.00 0.00 H new ATOM 30 N GLY A 4 3.713 24.414 -7.311 1.00 0.00 N ATOM 31 CA GLY A 4 3.595 23.754 -6.024 1.00 0.00 C ATOM 32 C GLY A 4 4.796 24.000 -5.134 1.00 0.00 C ATOM 33 O GLY A 4 5.700 23.168 -5.055 1.00 0.00 O ATOM 0 H GLY A 4 2.913 24.991 -7.572 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.695 24.106 -5.520 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.475 22.682 -6.179 1.00 0.00 H new ATOM 37 N SER A 5 4.808 25.147 -4.461 1.00 0.00 N ATOM 38 CA SER A 5 5.911 25.503 -3.576 1.00 0.00 C ATOM 39 C SER A 5 5.721 24.882 -2.195 1.00 0.00 C ATOM 40 O SER A 5 6.565 24.119 -1.724 1.00 0.00 O ATOM 41 CB SER A 5 6.024 27.023 -3.453 1.00 0.00 C ATOM 42 OG SER A 5 7.204 27.393 -2.761 1.00 0.00 O ATOM 0 H SER A 5 4.066 25.845 -4.512 1.00 0.00 H new ATOM 0 HA SER A 5 6.832 25.112 -4.008 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.025 27.472 -4.446 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.153 27.414 -2.927 1.00 0.00 H new ATOM 0 HG SER A 5 7.253 28.370 -2.697 1.00 0.00 H new ATOM 48 N SER A 6 4.607 25.215 -1.552 1.00 0.00 N ATOM 49 CA SER A 6 4.306 24.694 -0.223 1.00 0.00 C ATOM 50 C SER A 6 2.826 24.346 -0.098 1.00 0.00 C ATOM 51 O SER A 6 1.989 24.875 -0.827 1.00 0.00 O ATOM 52 CB SER A 6 4.694 25.715 0.848 1.00 0.00 C ATOM 53 OG SER A 6 6.082 26.000 0.802 1.00 0.00 O ATOM 0 H SER A 6 3.897 25.843 -1.929 1.00 0.00 H new ATOM 0 HA SER A 6 4.889 23.785 -0.076 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.126 26.634 0.702 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.431 25.331 1.834 1.00 0.00 H new ATOM 0 HG SER A 6 6.304 26.656 1.495 1.00 0.00 H new ATOM 59 N GLY A 7 2.512 23.450 0.833 1.00 0.00 N ATOM 60 CA GLY A 7 1.134 23.046 1.038 1.00 0.00 C ATOM 61 C GLY A 7 1.021 21.699 1.725 1.00 0.00 C ATOM 62 O GLY A 7 1.261 21.568 2.925 1.00 0.00 O ATOM 0 H GLY A 7 3.188 22.997 1.449 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.623 23.800 1.637 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.624 23.004 0.076 1.00 0.00 H new ATOM 66 N PRO A 8 0.645 20.667 0.955 1.00 0.00 N ATOM 67 CA PRO A 8 0.491 19.306 1.475 1.00 0.00 C ATOM 68 C PRO A 8 1.827 18.671 1.844 1.00 0.00 C ATOM 69 O PRO A 8 2.856 19.345 1.879 1.00 0.00 O ATOM 70 CB PRO A 8 -0.156 18.552 0.311 1.00 0.00 C ATOM 71 CG PRO A 8 0.253 19.309 -0.905 1.00 0.00 C ATOM 72 CD PRO A 8 0.343 20.750 -0.484 1.00 0.00 C ATOM 0 HA PRO A 8 -0.096 19.285 2.393 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.188 17.519 0.268 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.241 18.522 0.413 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.211 18.952 -1.283 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.474 19.181 -1.707 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.125 21.280 -1.029 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.590 21.282 -0.669 1.00 0.00 H new ATOM 80 N ALA A 9 1.804 17.371 2.117 1.00 0.00 N ATOM 81 CA ALA A 9 3.015 16.645 2.481 1.00 0.00 C ATOM 82 C ALA A 9 3.562 15.860 1.293 1.00 0.00 C ATOM 83 O ALA A 9 2.870 15.014 0.725 1.00 0.00 O ATOM 84 CB ALA A 9 2.740 15.713 3.651 1.00 0.00 C ATOM 0 H ALA A 9 0.960 16.799 2.093 1.00 0.00 H new ATOM 0 HA ALA A 9 3.769 17.373 2.781 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.653 15.177 3.912 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.403 16.295 4.509 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.967 14.997 3.372 1.00 0.00 H new ATOM 90 N HIS A 10 4.806 16.145 0.923 1.00 0.00 N ATOM 91 CA HIS A 10 5.445 15.464 -0.197 1.00 0.00 C ATOM 92 C HIS A 10 5.919 14.073 0.211 1.00 0.00 C ATOM 93 O HIS A 10 6.105 13.791 1.395 1.00 0.00 O ATOM 94 CB HIS A 10 6.626 16.287 -0.714 1.00 0.00 C ATOM 95 CG HIS A 10 7.761 15.452 -1.223 1.00 0.00 C ATOM 96 ND1 HIS A 10 7.701 14.738 -2.401 1.00 0.00 N ATOM 97 CD2 HIS A 10 8.990 15.220 -0.706 1.00 0.00 C ATOM 98 CE1 HIS A 10 8.844 14.102 -2.586 1.00 0.00 C ATOM 99 NE2 HIS A 10 9.644 14.379 -1.572 1.00 0.00 N ATOM 0 H HIS A 10 5.392 16.843 1.382 1.00 0.00 H new ATOM 0 HA HIS A 10 4.709 15.358 -0.994 1.00 0.00 H new ATOM 0 HB2 HIS A 10 6.280 16.941 -1.514 1.00 0.00 H new ATOM 0 HB3 HIS A 10 6.989 16.929 0.088 1.00 0.00 H new ATOM 0 HD2 HIS A 10 9.383 15.622 0.216 1.00 0.00 H new ATOM 0 HE1 HIS A 10 9.084 13.464 -3.424 1.00 0.00 H new ATOM 0 HE2 HIS A 10 10.593 14.026 -1.452 1.00 0.00 H new ATOM 108 N PHE A 11 6.113 13.205 -0.777 1.00 0.00 N ATOM 109 CA PHE A 11 6.563 11.842 -0.521 1.00 0.00 C ATOM 110 C PHE A 11 8.084 11.784 -0.412 1.00 0.00 C ATOM 111 O PHE A 11 8.791 11.833 -1.419 1.00 0.00 O ATOM 112 CB PHE A 11 6.083 10.907 -1.633 1.00 0.00 C ATOM 113 CG PHE A 11 4.688 10.391 -1.422 1.00 0.00 C ATOM 114 CD1 PHE A 11 4.414 9.490 -0.406 1.00 0.00 C ATOM 115 CD2 PHE A 11 3.651 10.808 -2.241 1.00 0.00 C ATOM 116 CE1 PHE A 11 3.132 9.015 -0.209 1.00 0.00 C ATOM 117 CE2 PHE A 11 2.366 10.336 -2.049 1.00 0.00 C ATOM 118 CZ PHE A 11 2.107 9.437 -1.033 1.00 0.00 C ATOM 0 H PHE A 11 5.965 13.422 -1.763 1.00 0.00 H new ATOM 0 HA PHE A 11 6.136 11.516 0.427 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.126 11.436 -2.585 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.767 10.062 -1.707 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.212 9.155 0.240 1.00 0.00 H new ATOM 0 HD2 PHE A 11 3.849 11.509 -3.038 1.00 0.00 H new ATOM 0 HE1 PHE A 11 2.931 8.315 0.588 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.566 10.670 -2.693 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.104 9.065 -0.883 1.00 0.00 H new ATOM 128 N ILE A 12 8.580 11.679 0.816 1.00 0.00 N ATOM 129 CA ILE A 12 10.016 11.613 1.057 1.00 0.00 C ATOM 130 C ILE A 12 10.514 10.172 1.019 1.00 0.00 C ATOM 131 O ILE A 12 11.653 9.908 0.638 1.00 0.00 O ATOM 132 CB ILE A 12 10.388 12.238 2.414 1.00 0.00 C ATOM 133 CG1 ILE A 12 9.612 11.558 3.544 1.00 0.00 C ATOM 134 CG2 ILE A 12 10.113 13.734 2.401 1.00 0.00 C ATOM 135 CD1 ILE A 12 10.095 11.942 4.925 1.00 0.00 C ATOM 0 H ILE A 12 8.008 11.638 1.660 1.00 0.00 H new ATOM 0 HA ILE A 12 10.496 12.182 0.261 1.00 0.00 H new ATOM 0 HB ILE A 12 11.453 12.085 2.588 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.556 11.813 3.453 1.00 0.00 H new ATOM 0 HG13 ILE A 12 9.690 10.477 3.428 1.00 0.00 H new ATOM 0 HG21 ILE A 12 10.381 14.162 3.367 1.00 0.00 H new ATOM 0 HG22 ILE A 12 10.706 14.206 1.618 1.00 0.00 H new ATOM 0 HG23 ILE A 12 9.054 13.908 2.208 1.00 0.00 H new ATOM 0 HD11 ILE A 12 9.500 11.423 5.676 1.00 0.00 H new ATOM 0 HD12 ILE A 12 11.143 11.662 5.035 1.00 0.00 H new ATOM 0 HD13 ILE A 12 9.991 13.019 5.061 1.00 0.00 H new ATOM 147 N GLY A 13 9.650 9.243 1.417 1.00 0.00 N ATOM 148 CA GLY A 13 10.020 7.839 1.420 1.00 0.00 C ATOM 149 C GLY A 13 9.141 7.006 0.508 1.00 0.00 C ATOM 150 O GLY A 13 8.394 6.144 0.973 1.00 0.00 O ATOM 0 H GLY A 13 8.701 9.437 1.737 1.00 0.00 H new ATOM 0 HA2 GLY A 13 11.060 7.740 1.108 1.00 0.00 H new ATOM 0 HA3 GLY A 13 9.954 7.451 2.437 1.00 0.00 H new ATOM 154 N ARG A 14 9.228 7.264 -0.793 1.00 0.00 N ATOM 155 CA ARG A 14 8.431 6.533 -1.771 1.00 0.00 C ATOM 156 C ARG A 14 8.292 5.067 -1.373 1.00 0.00 C ATOM 157 O ARG A 14 9.200 4.486 -0.776 1.00 0.00 O ATOM 158 CB ARG A 14 9.068 6.638 -3.158 1.00 0.00 C ATOM 159 CG ARG A 14 8.939 8.017 -3.785 1.00 0.00 C ATOM 160 CD ARG A 14 9.204 7.976 -5.282 1.00 0.00 C ATOM 161 NE ARG A 14 10.631 8.012 -5.586 1.00 0.00 N ATOM 162 CZ ARG A 14 11.133 7.754 -6.789 1.00 0.00 C ATOM 163 NH1 ARG A 14 10.327 7.442 -7.794 1.00 0.00 N ATOM 164 NH2 ARG A 14 12.444 7.808 -6.988 1.00 0.00 N ATOM 0 H ARG A 14 9.842 7.973 -1.194 1.00 0.00 H new ATOM 0 HA ARG A 14 7.437 6.979 -1.800 1.00 0.00 H new ATOM 0 HB2 ARG A 14 10.124 6.379 -3.084 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.605 5.904 -3.817 1.00 0.00 H new ATOM 0 HG2 ARG A 14 7.938 8.409 -3.602 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.641 8.701 -3.309 1.00 0.00 H new ATOM 0 HD2 ARG A 14 8.766 7.071 -5.703 1.00 0.00 H new ATOM 0 HD3 ARG A 14 8.710 8.821 -5.761 1.00 0.00 H new ATOM 0 HE ARG A 14 11.278 8.248 -4.834 1.00 0.00 H new ATOM 0 HH11 ARG A 14 9.319 7.400 -7.645 1.00 0.00 H new ATOM 0 HH12 ARG A 14 10.715 7.244 -8.716 1.00 0.00 H new ATOM 0 HH21 ARG A 14 13.067 8.048 -6.217 1.00 0.00 H new ATOM 0 HH22 ARG A 14 12.828 7.610 -7.912 1.00 0.00 H new ATOM 178 N LEU A 15 7.151 4.475 -1.706 1.00 0.00 N ATOM 179 CA LEU A 15 6.892 3.076 -1.384 1.00 0.00 C ATOM 180 C LEU A 15 8.029 2.184 -1.874 1.00 0.00 C ATOM 181 O LEU A 15 9.044 2.673 -2.371 1.00 0.00 O ATOM 182 CB LEU A 15 5.570 2.624 -2.006 1.00 0.00 C ATOM 183 CG LEU A 15 4.306 3.273 -1.442 1.00 0.00 C ATOM 184 CD1 LEU A 15 3.233 3.374 -2.515 1.00 0.00 C ATOM 185 CD2 LEU A 15 3.793 2.487 -0.244 1.00 0.00 C ATOM 0 H LEU A 15 6.390 4.942 -2.199 1.00 0.00 H new ATOM 0 HA LEU A 15 6.825 2.986 -0.300 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.609 2.822 -3.077 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.485 1.544 -1.885 1.00 0.00 H new ATOM 0 HG LEU A 15 4.555 4.281 -1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.341 3.838 -2.095 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.602 3.980 -3.343 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.986 2.376 -2.878 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.893 2.963 0.145 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.561 1.467 -0.550 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.558 2.467 0.533 1.00 0.00 H new ATOM 197 N ARG A 16 7.851 0.875 -1.731 1.00 0.00 N ATOM 198 CA ARG A 16 8.862 -0.084 -2.160 1.00 0.00 C ATOM 199 C ARG A 16 8.223 -1.422 -2.521 1.00 0.00 C ATOM 200 O ARG A 16 7.592 -2.067 -1.682 1.00 0.00 O ATOM 201 CB ARG A 16 9.905 -0.285 -1.059 1.00 0.00 C ATOM 202 CG ARG A 16 9.366 -1.004 0.167 1.00 0.00 C ATOM 203 CD ARG A 16 10.143 -0.629 1.419 1.00 0.00 C ATOM 204 NE ARG A 16 11.392 -1.377 1.532 1.00 0.00 N ATOM 205 CZ ARG A 16 12.351 -1.079 2.402 1.00 0.00 C ATOM 206 NH1 ARG A 16 12.203 -0.054 3.231 1.00 0.00 N ATOM 207 NH2 ARG A 16 13.459 -1.807 2.445 1.00 0.00 N ATOM 0 H ARG A 16 7.017 0.454 -1.322 1.00 0.00 H new ATOM 0 HA ARG A 16 9.353 0.316 -3.047 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.743 -0.853 -1.463 1.00 0.00 H new ATOM 0 HB3 ARG A 16 10.295 0.687 -0.757 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.313 -0.755 0.303 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.422 -2.081 0.012 1.00 0.00 H new ATOM 0 HD2 ARG A 16 10.360 0.439 1.405 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.527 -0.817 2.298 1.00 0.00 H new ATOM 0 HE ARG A 16 11.536 -2.172 0.909 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.352 0.507 3.201 1.00 0.00 H new ATOM 0 HH12 ARG A 16 12.940 0.173 3.898 1.00 0.00 H new ATOM 0 HH21 ARG A 16 13.575 -2.596 1.810 1.00 0.00 H new ATOM 0 HH22 ARG A 16 14.195 -1.577 3.113 1.00 0.00 H new ATOM 221 N HIS A 17 8.390 -1.834 -3.773 1.00 0.00 N ATOM 222 CA HIS A 17 7.829 -3.095 -4.245 1.00 0.00 C ATOM 223 C HIS A 17 7.933 -4.172 -3.169 1.00 0.00 C ATOM 224 O HIS A 17 8.989 -4.358 -2.565 1.00 0.00 O ATOM 225 CB HIS A 17 8.548 -3.554 -5.514 1.00 0.00 C ATOM 226 CG HIS A 17 9.913 -4.116 -5.258 1.00 0.00 C ATOM 227 ND1 HIS A 17 10.347 -5.311 -5.793 1.00 0.00 N ATOM 228 CD2 HIS A 17 10.943 -3.639 -4.522 1.00 0.00 C ATOM 229 CE1 HIS A 17 11.585 -5.545 -5.394 1.00 0.00 C ATOM 230 NE2 HIS A 17 11.970 -4.546 -4.622 1.00 0.00 N ATOM 0 H HIS A 17 8.909 -1.313 -4.480 1.00 0.00 H new ATOM 0 HA HIS A 17 6.775 -2.933 -4.472 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.941 -4.309 -6.013 1.00 0.00 H new ATOM 0 HB3 HIS A 17 8.634 -2.710 -6.199 1.00 0.00 H new ATOM 0 HD2 HIS A 17 10.956 -2.717 -3.960 1.00 0.00 H new ATOM 0 HE1 HIS A 17 12.181 -6.407 -5.655 1.00 0.00 H new ATOM 0 HE2 HIS A 17 12.882 -4.461 -4.173 1.00 0.00 H new ATOM 239 N GLN A 18 6.830 -4.876 -2.936 1.00 0.00 N ATOM 240 CA GLN A 18 6.798 -5.933 -1.931 1.00 0.00 C ATOM 241 C GLN A 18 6.148 -7.195 -2.489 1.00 0.00 C ATOM 242 O GLN A 18 5.045 -7.147 -3.032 1.00 0.00 O ATOM 243 CB GLN A 18 6.041 -5.462 -0.689 1.00 0.00 C ATOM 244 CG GLN A 18 4.538 -5.672 -0.776 1.00 0.00 C ATOM 245 CD GLN A 18 3.820 -5.288 0.503 1.00 0.00 C ATOM 246 OE1 GLN A 18 2.895 -5.974 0.939 1.00 0.00 O ATOM 247 NE2 GLN A 18 4.243 -4.186 1.112 1.00 0.00 N ATOM 0 H GLN A 18 5.948 -4.734 -3.428 1.00 0.00 H new ATOM 0 HA GLN A 18 7.826 -6.168 -1.654 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.424 -5.993 0.183 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.243 -4.403 -0.531 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.140 -5.083 -1.602 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.334 -6.718 -1.003 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.013 -3.648 0.715 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.798 -3.878 1.976 1.00 0.00 H new ATOM 256 N GLU A 19 6.840 -8.322 -2.352 1.00 0.00 N ATOM 257 CA GLU A 19 6.329 -9.596 -2.844 1.00 0.00 C ATOM 258 C GLU A 19 5.574 -10.340 -1.746 1.00 0.00 C ATOM 259 O GLU A 19 6.178 -10.993 -0.895 1.00 0.00 O ATOM 260 CB GLU A 19 7.476 -10.463 -3.366 1.00 0.00 C ATOM 261 CG GLU A 19 7.036 -11.844 -3.821 1.00 0.00 C ATOM 262 CD GLU A 19 8.096 -12.553 -4.643 1.00 0.00 C ATOM 263 OE1 GLU A 19 8.296 -12.167 -5.813 1.00 0.00 O ATOM 264 OE2 GLU A 19 8.725 -13.493 -4.114 1.00 0.00 O ATOM 0 H GLU A 19 7.755 -8.379 -1.905 1.00 0.00 H new ATOM 0 HA GLU A 19 5.638 -9.390 -3.661 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.957 -9.951 -4.199 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.226 -10.570 -2.582 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.793 -12.450 -2.948 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.124 -11.755 -4.411 1.00 0.00 H new ATOM 271 N SER A 20 4.249 -10.235 -1.772 1.00 0.00 N ATOM 272 CA SER A 20 3.410 -10.893 -0.777 1.00 0.00 C ATOM 273 C SER A 20 3.086 -12.323 -1.201 1.00 0.00 C ATOM 274 O SER A 20 3.512 -12.779 -2.262 1.00 0.00 O ATOM 275 CB SER A 20 2.116 -10.105 -0.569 1.00 0.00 C ATOM 276 OG SER A 20 1.333 -10.088 -1.750 1.00 0.00 O ATOM 0 H SER A 20 3.733 -9.701 -2.471 1.00 0.00 H new ATOM 0 HA SER A 20 3.961 -10.927 0.163 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.543 -10.550 0.245 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.353 -9.084 -0.271 1.00 0.00 H new ATOM 0 HG SER A 20 0.594 -9.453 -1.644 1.00 0.00 H new ATOM 282 N ILE A 21 2.331 -13.024 -0.362 1.00 0.00 N ATOM 283 CA ILE A 21 1.949 -14.402 -0.649 1.00 0.00 C ATOM 284 C ILE A 21 0.432 -14.558 -0.671 1.00 0.00 C ATOM 285 O ILE A 21 -0.273 -13.980 0.155 1.00 0.00 O ATOM 286 CB ILE A 21 2.539 -15.377 0.386 1.00 0.00 C ATOM 287 CG1 ILE A 21 3.973 -15.753 0.005 1.00 0.00 C ATOM 288 CG2 ILE A 21 1.671 -16.621 0.497 1.00 0.00 C ATOM 289 CD1 ILE A 21 4.064 -16.994 -0.855 1.00 0.00 C ATOM 0 H ILE A 21 1.972 -12.661 0.521 1.00 0.00 H new ATOM 0 HA ILE A 21 2.351 -14.643 -1.633 1.00 0.00 H new ATOM 0 HB ILE A 21 2.559 -14.884 1.358 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.430 -14.918 -0.526 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.553 -15.908 0.915 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.101 -17.301 1.233 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.666 -16.337 0.810 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.622 -17.118 -0.472 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.109 -17.201 -1.086 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.637 -17.841 -0.318 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.512 -16.836 -1.781 1.00 0.00 H new ATOM 301 N GLU A 22 -0.063 -15.345 -1.622 1.00 0.00 N ATOM 302 CA GLU A 22 -1.496 -15.578 -1.750 1.00 0.00 C ATOM 303 C GLU A 22 -2.098 -16.012 -0.416 1.00 0.00 C ATOM 304 O GLU A 22 -1.498 -16.788 0.325 1.00 0.00 O ATOM 305 CB GLU A 22 -1.769 -16.642 -2.815 1.00 0.00 C ATOM 306 CG GLU A 22 -3.129 -17.305 -2.678 1.00 0.00 C ATOM 307 CD GLU A 22 -3.288 -18.505 -3.593 1.00 0.00 C ATOM 308 OE1 GLU A 22 -2.458 -19.434 -3.501 1.00 0.00 O ATOM 309 OE2 GLU A 22 -4.240 -18.514 -4.400 1.00 0.00 O ATOM 0 H GLU A 22 0.507 -15.831 -2.314 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.965 -14.642 -2.053 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.695 -16.184 -3.801 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.994 -17.407 -2.760 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.273 -17.619 -1.644 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.908 -16.577 -2.902 1.00 0.00 H new ATOM 316 N GLY A 23 -3.291 -15.503 -0.119 1.00 0.00 N ATOM 317 CA GLY A 23 -3.954 -15.848 1.125 1.00 0.00 C ATOM 318 C GLY A 23 -3.460 -15.021 2.295 1.00 0.00 C ATOM 319 O GLY A 23 -4.205 -14.761 3.239 1.00 0.00 O ATOM 0 H GLY A 23 -3.809 -14.859 -0.717 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.029 -15.706 1.012 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.793 -16.905 1.338 1.00 0.00 H new ATOM 323 N ALA A 24 -2.198 -14.608 2.234 1.00 0.00 N ATOM 324 CA ALA A 24 -1.605 -13.806 3.297 1.00 0.00 C ATOM 325 C ALA A 24 -2.200 -12.402 3.322 1.00 0.00 C ATOM 326 O ALA A 24 -3.034 -12.054 2.485 1.00 0.00 O ATOM 327 CB ALA A 24 -0.095 -13.737 3.126 1.00 0.00 C ATOM 0 H ALA A 24 -1.567 -14.816 1.460 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.831 -14.286 4.249 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.335 -13.135 3.927 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.322 -14.743 3.165 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.142 -13.283 2.164 1.00 0.00 H new ATOM 333 N THR A 25 -1.768 -11.598 4.288 1.00 0.00 N ATOM 334 CA THR A 25 -2.259 -10.233 4.424 1.00 0.00 C ATOM 335 C THR A 25 -1.171 -9.220 4.085 1.00 0.00 C ATOM 336 O THR A 25 -0.273 -8.968 4.887 1.00 0.00 O ATOM 337 CB THR A 25 -2.773 -9.959 5.850 1.00 0.00 C ATOM 338 OG1 THR A 25 -3.847 -10.852 6.164 1.00 0.00 O ATOM 339 CG2 THR A 25 -3.246 -8.520 5.988 1.00 0.00 C ATOM 0 H THR A 25 -1.078 -11.869 4.989 1.00 0.00 H new ATOM 0 HA THR A 25 -3.085 -10.124 3.721 1.00 0.00 H new ATOM 0 HB THR A 25 -1.950 -10.122 6.546 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.537 -10.370 6.667 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.604 -8.351 7.003 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.418 -7.843 5.778 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.055 -8.334 5.282 1.00 0.00 H new ATOM 347 N ALA A 26 -1.258 -8.643 2.891 1.00 0.00 N ATOM 348 CA ALA A 26 -0.282 -7.655 2.447 1.00 0.00 C ATOM 349 C ALA A 26 -0.287 -6.431 3.357 1.00 0.00 C ATOM 350 O ALA A 26 -1.301 -6.109 3.977 1.00 0.00 O ATOM 351 CB ALA A 26 -0.561 -7.247 1.008 1.00 0.00 C ATOM 0 H ALA A 26 -1.994 -8.843 2.214 1.00 0.00 H new ATOM 0 HA ALA A 26 0.707 -8.109 2.499 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.175 -6.509 0.690 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.499 -8.123 0.363 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.560 -6.816 0.939 1.00 0.00 H new ATOM 357 N THR A 27 0.853 -5.751 3.432 1.00 0.00 N ATOM 358 CA THR A 27 0.980 -4.563 4.267 1.00 0.00 C ATOM 359 C THR A 27 2.050 -3.622 3.725 1.00 0.00 C ATOM 360 O THR A 27 3.246 -3.883 3.859 1.00 0.00 O ATOM 361 CB THR A 27 1.327 -4.933 5.721 1.00 0.00 C ATOM 362 OG1 THR A 27 0.326 -5.807 6.257 1.00 0.00 O ATOM 363 CG2 THR A 27 1.434 -3.687 6.586 1.00 0.00 C ATOM 0 H THR A 27 1.701 -6.003 2.925 1.00 0.00 H new ATOM 0 HA THR A 27 0.014 -4.059 4.249 1.00 0.00 H new ATOM 0 HB THR A 27 2.291 -5.441 5.722 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.555 -6.039 7.181 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.680 -3.974 7.608 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.216 -3.038 6.193 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.483 -3.155 6.577 1.00 0.00 H new ATOM 371 N LEU A 28 1.613 -2.527 3.113 1.00 0.00 N ATOM 372 CA LEU A 28 2.534 -1.545 2.551 1.00 0.00 C ATOM 373 C LEU A 28 2.867 -0.463 3.573 1.00 0.00 C ATOM 374 O LEU A 28 2.188 -0.327 4.592 1.00 0.00 O ATOM 375 CB LEU A 28 1.931 -0.910 1.297 1.00 0.00 C ATOM 376 CG LEU A 28 2.081 -1.709 0.002 1.00 0.00 C ATOM 377 CD1 LEU A 28 0.911 -1.438 -0.931 1.00 0.00 C ATOM 378 CD2 LEU A 28 3.399 -1.376 -0.681 1.00 0.00 C ATOM 0 H LEU A 28 0.627 -2.297 2.993 1.00 0.00 H new ATOM 0 HA LEU A 28 3.456 -2.061 2.282 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.869 -0.740 1.475 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.390 0.068 1.152 1.00 0.00 H new ATOM 0 HG LEU A 28 2.082 -2.770 0.251 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.035 -2.015 -1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.019 -1.728 -0.442 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.877 -0.376 -1.173 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.488 -1.954 -1.601 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.428 -0.312 -0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.226 -1.623 -0.016 1.00 0.00 H new ATOM 390 N ARG A 29 3.914 0.306 3.294 1.00 0.00 N ATOM 391 CA ARG A 29 4.336 1.377 4.188 1.00 0.00 C ATOM 392 C ARG A 29 5.069 2.471 3.418 1.00 0.00 C ATOM 393 O ARG A 29 5.889 2.186 2.543 1.00 0.00 O ATOM 394 CB ARG A 29 5.239 0.823 5.292 1.00 0.00 C ATOM 395 CG ARG A 29 5.421 1.773 6.464 1.00 0.00 C ATOM 396 CD ARG A 29 5.833 1.030 7.725 1.00 0.00 C ATOM 397 NE ARG A 29 7.284 0.904 7.836 1.00 0.00 N ATOM 398 CZ ARG A 29 7.984 -0.062 7.251 1.00 0.00 C ATOM 399 NH1 ARG A 29 7.370 -0.979 6.517 1.00 0.00 N ATOM 400 NH2 ARG A 29 9.302 -0.110 7.398 1.00 0.00 N ATOM 0 H ARG A 29 4.486 0.207 2.455 1.00 0.00 H new ATOM 0 HA ARG A 29 3.444 1.810 4.641 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.819 -0.114 5.657 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.216 0.591 4.868 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.177 2.518 6.216 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.491 2.311 6.645 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.447 1.556 8.598 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.382 0.038 7.725 1.00 0.00 H new ATOM 0 HE ARG A 29 7.787 1.595 8.393 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.357 -0.944 6.400 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.910 -1.719 6.069 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.778 0.595 7.960 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.839 -0.852 6.949 1.00 0.00 H new ATOM 414 N CYS A 30 4.769 3.723 3.748 1.00 0.00 N ATOM 415 CA CYS A 30 5.399 4.860 3.086 1.00 0.00 C ATOM 416 C CYS A 30 5.726 5.960 4.091 1.00 0.00 C ATOM 417 O CYS A 30 5.426 5.839 5.278 1.00 0.00 O ATOM 418 CB CYS A 30 4.485 5.409 1.990 1.00 0.00 C ATOM 419 SG CYS A 30 2.773 5.660 2.514 1.00 0.00 S ATOM 0 H CYS A 30 4.094 3.976 4.470 1.00 0.00 H new ATOM 0 HA CYS A 30 6.330 4.517 2.634 1.00 0.00 H new ATOM 0 HB2 CYS A 30 4.888 6.358 1.637 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.498 4.722 1.143 1.00 0.00 H new ATOM 0 HG CYS A 30 2.052 4.644 2.142 1.00 0.00 H new ATOM 425 N GLU A 31 6.345 7.032 3.606 1.00 0.00 N ATOM 426 CA GLU A 31 6.715 8.153 4.462 1.00 0.00 C ATOM 427 C GLU A 31 6.372 9.482 3.797 1.00 0.00 C ATOM 428 O GLU A 31 6.539 9.646 2.588 1.00 0.00 O ATOM 429 CB GLU A 31 8.210 8.103 4.787 1.00 0.00 C ATOM 430 CG GLU A 31 8.564 8.737 6.121 1.00 0.00 C ATOM 431 CD GLU A 31 10.025 8.554 6.485 1.00 0.00 C ATOM 432 OE1 GLU A 31 10.882 8.705 5.590 1.00 0.00 O ATOM 433 OE2 GLU A 31 10.310 8.259 7.664 1.00 0.00 O ATOM 0 H GLU A 31 6.601 7.148 2.625 1.00 0.00 H new ATOM 0 HA GLU A 31 6.146 8.073 5.388 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.538 7.064 4.790 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.762 8.609 3.996 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.333 9.802 6.086 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.941 8.301 6.903 1.00 0.00 H new ATOM 440 N LEU A 32 5.891 10.429 4.595 1.00 0.00 N ATOM 441 CA LEU A 32 5.524 11.746 4.086 1.00 0.00 C ATOM 442 C LEU A 32 6.331 12.841 4.774 1.00 0.00 C ATOM 443 O LEU A 32 6.775 12.679 5.911 1.00 0.00 O ATOM 444 CB LEU A 32 4.028 11.994 4.290 1.00 0.00 C ATOM 445 CG LEU A 32 3.083 11.074 3.517 1.00 0.00 C ATOM 446 CD1 LEU A 32 1.680 11.137 4.100 1.00 0.00 C ATOM 447 CD2 LEU A 32 3.066 11.445 2.041 1.00 0.00 C ATOM 0 H LEU A 32 5.746 10.309 5.598 1.00 0.00 H new ATOM 0 HA LEU A 32 5.749 11.772 3.020 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.806 11.899 5.353 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.810 13.024 4.010 1.00 0.00 H new ATOM 0 HG LEU A 32 3.447 10.051 3.610 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.022 10.476 3.537 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.705 10.822 5.143 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.306 12.159 4.039 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.388 10.780 1.506 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.727 12.475 1.929 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.071 11.346 1.629 1.00 0.00 H new ATOM 459 N SER A 33 6.517 13.958 4.078 1.00 0.00 N ATOM 460 CA SER A 33 7.273 15.081 4.621 1.00 0.00 C ATOM 461 C SER A 33 6.654 15.571 5.927 1.00 0.00 C ATOM 462 O SER A 33 7.283 16.306 6.689 1.00 0.00 O ATOM 463 CB SER A 33 7.326 16.225 3.608 1.00 0.00 C ATOM 464 OG SER A 33 7.772 17.425 4.216 1.00 0.00 O ATOM 0 H SER A 33 6.155 14.110 3.137 1.00 0.00 H new ATOM 0 HA SER A 33 8.288 14.739 4.825 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.994 15.959 2.789 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.337 16.378 3.176 1.00 0.00 H new ATOM 0 HG SER A 33 7.798 18.141 3.547 1.00 0.00 H new ATOM 470 N LYS A 34 5.416 15.160 6.178 1.00 0.00 N ATOM 471 CA LYS A 34 4.710 15.554 7.391 1.00 0.00 C ATOM 472 C LYS A 34 3.388 14.803 7.520 1.00 0.00 C ATOM 473 O LYS A 34 2.840 14.319 6.531 1.00 0.00 O ATOM 474 CB LYS A 34 4.453 17.063 7.389 1.00 0.00 C ATOM 475 CG LYS A 34 3.279 17.479 6.520 1.00 0.00 C ATOM 476 CD LYS A 34 3.199 18.989 6.375 1.00 0.00 C ATOM 477 CE LYS A 34 4.004 19.479 5.181 1.00 0.00 C ATOM 478 NZ LYS A 34 4.120 20.963 5.161 1.00 0.00 N ATOM 0 H LYS A 34 4.880 14.554 5.557 1.00 0.00 H new ATOM 0 HA LYS A 34 5.337 15.299 8.245 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.272 17.394 8.412 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.350 17.575 7.042 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.375 17.023 5.535 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.352 17.105 6.956 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.158 19.290 6.261 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.570 19.463 7.284 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.000 19.037 5.209 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.530 19.139 4.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.676 21.257 4.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.171 21.385 5.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.595 21.286 6.028 1.00 0.00 H new ATOM 492 N ALA A 35 2.882 14.712 8.746 1.00 0.00 N ATOM 493 CA ALA A 35 1.623 14.024 9.002 1.00 0.00 C ATOM 494 C ALA A 35 0.505 14.579 8.127 1.00 0.00 C ATOM 495 O ALA A 35 0.061 15.712 8.315 1.00 0.00 O ATOM 496 CB ALA A 35 1.250 14.136 10.473 1.00 0.00 C ATOM 0 H ALA A 35 3.324 15.106 9.576 1.00 0.00 H new ATOM 0 HA ALA A 35 1.756 12.972 8.751 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.308 13.618 10.650 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.033 13.684 11.082 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.142 15.187 10.742 1.00 0.00 H new ATOM 502 N ALA A 36 0.053 13.775 7.170 1.00 0.00 N ATOM 503 CA ALA A 36 -1.014 14.187 6.267 1.00 0.00 C ATOM 504 C ALA A 36 -1.769 12.979 5.723 1.00 0.00 C ATOM 505 O ALA A 36 -1.227 11.880 5.603 1.00 0.00 O ATOM 506 CB ALA A 36 -0.448 15.016 5.124 1.00 0.00 C ATOM 0 H ALA A 36 0.409 12.834 7.000 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.718 14.799 6.831 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.256 15.317 4.458 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.040 15.904 5.526 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.278 14.422 4.569 1.00 0.00 H new ATOM 512 N PRO A 37 -3.051 13.184 5.387 1.00 0.00 N ATOM 513 CA PRO A 37 -3.909 12.123 4.851 1.00 0.00 C ATOM 514 C PRO A 37 -3.503 11.707 3.441 1.00 0.00 C ATOM 515 O PRO A 37 -3.126 12.543 2.620 1.00 0.00 O ATOM 516 CB PRO A 37 -5.300 12.761 4.840 1.00 0.00 C ATOM 517 CG PRO A 37 -5.043 14.226 4.753 1.00 0.00 C ATOM 518 CD PRO A 37 -3.763 14.468 5.503 1.00 0.00 C ATOM 0 HA PRO A 37 -3.849 11.211 5.446 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.889 12.411 3.992 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.858 12.510 5.742 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.953 14.545 3.715 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.865 14.793 5.191 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.190 15.286 5.066 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.951 14.731 6.544 1.00 0.00 H new ATOM 526 N VAL A 38 -3.584 10.409 3.165 1.00 0.00 N ATOM 527 CA VAL A 38 -3.227 9.882 1.854 1.00 0.00 C ATOM 528 C VAL A 38 -4.393 9.124 1.230 1.00 0.00 C ATOM 529 O VAL A 38 -5.468 9.025 1.820 1.00 0.00 O ATOM 530 CB VAL A 38 -2.007 8.946 1.938 1.00 0.00 C ATOM 531 CG1 VAL A 38 -0.776 9.713 2.397 1.00 0.00 C ATOM 532 CG2 VAL A 38 -2.295 7.778 2.869 1.00 0.00 C ATOM 0 H VAL A 38 -3.894 9.703 3.833 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.976 10.738 1.227 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.807 8.548 0.943 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.076 9.035 2.450 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.560 10.512 1.688 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.961 10.142 3.382 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.422 7.127 2.916 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.521 8.155 3.866 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.148 7.214 2.492 1.00 0.00 H new ATOM 542 N GLU A 39 -4.172 8.590 0.032 1.00 0.00 N ATOM 543 CA GLU A 39 -5.206 7.841 -0.672 1.00 0.00 C ATOM 544 C GLU A 39 -4.590 6.747 -1.539 1.00 0.00 C ATOM 545 O GLU A 39 -4.025 7.023 -2.597 1.00 0.00 O ATOM 546 CB GLU A 39 -6.047 8.780 -1.538 1.00 0.00 C ATOM 547 CG GLU A 39 -7.352 8.164 -2.015 1.00 0.00 C ATOM 548 CD GLU A 39 -7.207 7.446 -3.343 1.00 0.00 C ATOM 549 OE1 GLU A 39 -6.293 6.604 -3.465 1.00 0.00 O ATOM 550 OE2 GLU A 39 -8.008 7.726 -4.259 1.00 0.00 O ATOM 0 H GLU A 39 -3.287 8.662 -0.470 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.849 7.372 0.072 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.268 9.684 -0.970 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.460 9.084 -2.405 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.714 7.462 -1.264 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.105 8.946 -2.109 1.00 0.00 H new ATOM 557 N TRP A 40 -4.702 5.505 -1.082 1.00 0.00 N ATOM 558 CA TRP A 40 -4.156 4.368 -1.815 1.00 0.00 C ATOM 559 C TRP A 40 -4.973 4.087 -3.071 1.00 0.00 C ATOM 560 O TRP A 40 -6.196 4.229 -3.071 1.00 0.00 O ATOM 561 CB TRP A 40 -4.125 3.127 -0.923 1.00 0.00 C ATOM 562 CG TRP A 40 -3.278 3.297 0.302 1.00 0.00 C ATOM 563 CD1 TRP A 40 -3.664 3.832 1.498 1.00 0.00 C ATOM 564 CD2 TRP A 40 -1.902 2.931 0.450 1.00 0.00 C ATOM 565 NE1 TRP A 40 -2.611 3.821 2.380 1.00 0.00 N ATOM 566 CE2 TRP A 40 -1.518 3.273 1.762 1.00 0.00 C ATOM 567 CE3 TRP A 40 -0.956 2.347 -0.397 1.00 0.00 C ATOM 568 CZ2 TRP A 40 -0.231 3.050 2.243 1.00 0.00 C ATOM 569 CZ3 TRP A 40 0.321 2.126 0.082 1.00 0.00 C ATOM 570 CH2 TRP A 40 0.674 2.476 1.392 1.00 0.00 C ATOM 0 H TRP A 40 -5.166 5.259 -0.207 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.138 4.616 -2.115 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -5.143 2.880 -0.621 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.750 2.282 -1.501 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -4.652 4.208 1.718 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -2.638 4.165 3.340 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.219 2.073 -1.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 0.044 3.320 3.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 1.060 1.676 -0.564 1.00 0.00 H new ATOM 0 HH2 TRP A 40 1.680 2.289 1.737 1.00 0.00 H new ATOM 581 N ARG A 41 -4.291 3.687 -4.139 1.00 0.00 N ATOM 582 CA ARG A 41 -4.955 3.386 -5.401 1.00 0.00 C ATOM 583 C ARG A 41 -4.387 2.115 -6.025 1.00 0.00 C ATOM 584 O ARG A 41 -3.185 2.015 -6.273 1.00 0.00 O ATOM 585 CB ARG A 41 -4.801 4.557 -6.374 1.00 0.00 C ATOM 586 CG ARG A 41 -5.696 5.741 -6.048 1.00 0.00 C ATOM 587 CD ARG A 41 -6.082 6.510 -7.302 1.00 0.00 C ATOM 588 NE ARG A 41 -7.170 7.452 -7.053 1.00 0.00 N ATOM 589 CZ ARG A 41 -7.964 7.926 -8.007 1.00 0.00 C ATOM 590 NH1 ARG A 41 -7.792 7.549 -9.266 1.00 0.00 N ATOM 591 NH2 ARG A 41 -8.933 8.780 -7.702 1.00 0.00 N ATOM 0 H ARG A 41 -3.279 3.564 -4.155 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.014 3.228 -5.197 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.762 4.886 -6.371 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.023 4.211 -7.384 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.596 5.390 -5.544 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.182 6.407 -5.355 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.213 7.051 -7.678 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.381 5.808 -8.080 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.329 7.763 -6.095 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.048 6.893 -9.505 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.403 7.915 -9.996 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.069 9.073 -6.734 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.542 9.143 -8.435 1.00 0.00 H new ATOM 605 N LYS A 42 -5.259 1.145 -6.277 1.00 0.00 N ATOM 606 CA LYS A 42 -4.846 -0.121 -6.872 1.00 0.00 C ATOM 607 C LYS A 42 -5.213 -0.171 -8.352 1.00 0.00 C ATOM 608 O LYS A 42 -6.318 -0.572 -8.714 1.00 0.00 O ATOM 609 CB LYS A 42 -5.499 -1.292 -6.134 1.00 0.00 C ATOM 610 CG LYS A 42 -5.315 -2.628 -6.832 1.00 0.00 C ATOM 611 CD LYS A 42 -6.422 -3.604 -6.469 1.00 0.00 C ATOM 612 CE LYS A 42 -6.223 -4.951 -7.146 1.00 0.00 C ATOM 613 NZ LYS A 42 -7.470 -5.764 -7.141 1.00 0.00 N ATOM 0 H LYS A 42 -6.257 1.211 -6.078 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.763 -0.201 -6.781 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.081 -1.356 -5.129 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.565 -1.093 -6.024 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.302 -2.477 -7.911 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.350 -3.053 -6.558 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.449 -3.740 -5.388 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.386 -3.188 -6.762 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.895 -4.796 -8.174 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.430 -5.499 -6.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.297 -6.667 -7.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.760 -5.948 -6.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.225 -5.245 -7.634 1.00 0.00 H new ATOM 627 N GLY A 43 -4.277 0.239 -9.203 1.00 0.00 N ATOM 628 CA GLY A 43 -4.521 0.231 -10.634 1.00 0.00 C ATOM 629 C GLY A 43 -5.842 0.878 -11.000 1.00 0.00 C ATOM 630 O GLY A 43 -6.894 0.242 -10.927 1.00 0.00 O ATOM 0 H GLY A 43 -3.355 0.576 -8.927 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.711 0.755 -11.141 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.511 -0.797 -10.996 1.00 0.00 H new ATOM 634 N ARG A 44 -5.789 2.146 -11.394 1.00 0.00 N ATOM 635 CA ARG A 44 -6.991 2.881 -11.770 1.00 0.00 C ATOM 636 C ARG A 44 -8.095 2.683 -10.735 1.00 0.00 C ATOM 637 O ARG A 44 -9.279 2.803 -11.048 1.00 0.00 O ATOM 638 CB ARG A 44 -7.480 2.428 -13.147 1.00 0.00 C ATOM 639 CG ARG A 44 -8.180 1.079 -13.132 1.00 0.00 C ATOM 640 CD ARG A 44 -8.994 0.859 -14.397 1.00 0.00 C ATOM 641 NE ARG A 44 -10.230 1.636 -14.396 1.00 0.00 N ATOM 642 CZ ARG A 44 -11.004 1.788 -15.464 1.00 0.00 C ATOM 643 NH1 ARG A 44 -10.671 1.218 -16.614 1.00 0.00 N ATOM 644 NH2 ARG A 44 -12.114 2.510 -15.384 1.00 0.00 N ATOM 0 H ARG A 44 -4.926 2.686 -11.461 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.742 3.941 -11.811 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -8.164 3.178 -13.545 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -6.630 2.379 -13.827 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.440 0.285 -13.032 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.834 1.017 -12.262 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -8.395 1.133 -15.265 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -9.232 -0.200 -14.495 1.00 0.00 H new ATOM 0 HE ARG A 44 -10.515 2.087 -13.527 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -9.819 0.661 -16.679 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -11.267 1.336 -17.433 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -12.374 2.949 -14.501 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -12.707 2.626 -16.205 1.00 0.00 H new ATOM 658 N GLU A 45 -7.697 2.379 -9.504 1.00 0.00 N ATOM 659 CA GLU A 45 -8.653 2.164 -8.424 1.00 0.00 C ATOM 660 C GLU A 45 -8.248 2.940 -7.175 1.00 0.00 C ATOM 661 O GLU A 45 -7.132 3.452 -7.084 1.00 0.00 O ATOM 662 CB GLU A 45 -8.761 0.673 -8.099 1.00 0.00 C ATOM 663 CG GLU A 45 -10.143 0.252 -7.626 1.00 0.00 C ATOM 664 CD GLU A 45 -10.249 -1.243 -7.393 1.00 0.00 C ATOM 665 OE1 GLU A 45 -9.596 -1.744 -6.453 1.00 0.00 O ATOM 666 OE2 GLU A 45 -10.984 -1.912 -8.149 1.00 0.00 O ATOM 0 H GLU A 45 -6.720 2.276 -9.230 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.625 2.528 -8.756 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.498 0.096 -8.986 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.031 0.424 -7.329 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.383 0.778 -6.702 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.884 0.554 -8.366 1.00 0.00 H new ATOM 673 N SER A 46 -9.162 3.024 -6.214 1.00 0.00 N ATOM 674 CA SER A 46 -8.902 3.741 -4.971 1.00 0.00 C ATOM 675 C SER A 46 -9.280 2.890 -3.763 1.00 0.00 C ATOM 676 O SER A 46 -10.451 2.566 -3.559 1.00 0.00 O ATOM 677 CB SER A 46 -9.681 5.058 -4.945 1.00 0.00 C ATOM 678 OG SER A 46 -9.957 5.461 -3.615 1.00 0.00 O ATOM 0 H SER A 46 -10.090 2.604 -6.272 1.00 0.00 H new ATOM 0 HA SER A 46 -7.835 3.957 -4.922 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.107 5.834 -5.452 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.615 4.943 -5.495 1.00 0.00 H new ATOM 0 HG SER A 46 -10.454 6.306 -3.626 1.00 0.00 H new ATOM 684 N LEU A 47 -8.281 2.530 -2.965 1.00 0.00 N ATOM 685 CA LEU A 47 -8.507 1.716 -1.776 1.00 0.00 C ATOM 686 C LEU A 47 -8.844 2.591 -0.573 1.00 0.00 C ATOM 687 O LEU A 47 -8.017 3.379 -0.115 1.00 0.00 O ATOM 688 CB LEU A 47 -7.271 0.867 -1.473 1.00 0.00 C ATOM 689 CG LEU A 47 -6.663 0.120 -2.660 1.00 0.00 C ATOM 690 CD1 LEU A 47 -7.750 -0.324 -3.626 1.00 0.00 C ATOM 691 CD2 LEU A 47 -5.639 0.993 -3.372 1.00 0.00 C ATOM 0 H LEU A 47 -7.307 2.789 -3.120 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.354 1.058 -1.972 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.505 1.515 -1.046 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.535 0.138 -0.707 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.156 -0.768 -2.283 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.298 -0.854 -4.464 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.446 -0.986 -3.111 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.287 0.549 -3.996 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.217 0.445 -4.214 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.123 1.899 -3.735 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.843 1.260 -2.677 1.00 0.00 H new ATOM 703 N ARG A 48 -10.064 2.444 -0.064 1.00 0.00 N ATOM 704 CA ARG A 48 -10.510 3.220 1.086 1.00 0.00 C ATOM 705 C ARG A 48 -10.722 2.320 2.300 1.00 0.00 C ATOM 706 O ARG A 48 -11.020 1.134 2.161 1.00 0.00 O ATOM 707 CB ARG A 48 -11.806 3.963 0.756 1.00 0.00 C ATOM 708 CG ARG A 48 -11.752 4.727 -0.557 1.00 0.00 C ATOM 709 CD ARG A 48 -13.144 4.970 -1.118 1.00 0.00 C ATOM 710 NE ARG A 48 -13.925 5.871 -0.274 1.00 0.00 N ATOM 711 CZ ARG A 48 -15.240 6.023 -0.381 1.00 0.00 C ATOM 712 NH1 ARG A 48 -15.918 5.338 -1.291 1.00 0.00 N ATOM 713 NH2 ARG A 48 -15.880 6.862 0.423 1.00 0.00 N ATOM 0 H ARG A 48 -10.760 1.795 -0.430 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.734 3.947 1.325 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -12.626 3.246 0.716 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -12.031 4.660 1.563 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -11.249 5.682 -0.403 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -11.160 4.167 -1.281 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -13.063 5.391 -2.120 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -13.667 4.019 -1.214 1.00 0.00 H new ATOM 0 HE ARG A 48 -13.433 6.413 0.436 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -15.430 4.692 -1.911 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -16.928 5.457 -1.371 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -15.362 7.391 1.124 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -16.890 6.978 0.340 1.00 0.00 H new ATOM 727 N ASP A 49 -10.566 2.892 3.489 1.00 0.00 N ATOM 728 CA ASP A 49 -10.741 2.142 4.727 1.00 0.00 C ATOM 729 C ASP A 49 -12.132 1.519 4.793 1.00 0.00 C ATOM 730 O ASP A 49 -13.140 2.224 4.800 1.00 0.00 O ATOM 731 CB ASP A 49 -10.520 3.053 5.936 1.00 0.00 C ATOM 732 CG ASP A 49 -11.801 3.711 6.408 1.00 0.00 C ATOM 733 OD1 ASP A 49 -12.546 3.072 7.180 1.00 0.00 O ATOM 734 OD2 ASP A 49 -12.060 4.864 6.004 1.00 0.00 O ATOM 0 H ASP A 49 -10.319 3.873 3.621 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.002 1.341 4.745 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.092 2.471 6.752 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.793 3.823 5.679 1.00 0.00 H new ATOM 739 N GLY A 50 -12.178 0.191 4.839 1.00 0.00 N ATOM 740 CA GLY A 50 -13.450 -0.505 4.902 1.00 0.00 C ATOM 741 C GLY A 50 -13.358 -1.814 5.662 1.00 0.00 C ATOM 742 O GLY A 50 -12.592 -1.931 6.619 1.00 0.00 O ATOM 0 H GLY A 50 -11.358 -0.415 4.834 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.189 0.138 5.380 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.804 -0.700 3.890 1.00 0.00 H new ATOM 746 N ASP A 51 -14.141 -2.799 5.237 1.00 0.00 N ATOM 747 CA ASP A 51 -14.145 -4.106 5.885 1.00 0.00 C ATOM 748 C ASP A 51 -12.749 -4.471 6.381 1.00 0.00 C ATOM 749 O ASP A 51 -12.469 -4.406 7.578 1.00 0.00 O ATOM 750 CB ASP A 51 -14.652 -5.177 4.917 1.00 0.00 C ATOM 751 CG ASP A 51 -14.207 -4.924 3.490 1.00 0.00 C ATOM 752 OD1 ASP A 51 -14.836 -4.085 2.812 1.00 0.00 O ATOM 753 OD2 ASP A 51 -13.230 -5.566 3.051 1.00 0.00 O ATOM 0 H ASP A 51 -14.781 -2.718 4.447 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.815 -4.057 6.744 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -14.292 -6.154 5.239 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -15.741 -5.211 4.955 1.00 0.00 H new ATOM 758 N ARG A 52 -11.879 -4.855 5.453 1.00 0.00 N ATOM 759 CA ARG A 52 -10.513 -5.232 5.797 1.00 0.00 C ATOM 760 C ARG A 52 -9.543 -4.091 5.503 1.00 0.00 C ATOM 761 O ARG A 52 -8.766 -3.685 6.367 1.00 0.00 O ATOM 762 CB ARG A 52 -10.096 -6.483 5.021 1.00 0.00 C ATOM 763 CG ARG A 52 -10.327 -7.778 5.783 1.00 0.00 C ATOM 764 CD ARG A 52 -9.656 -7.748 7.147 1.00 0.00 C ATOM 765 NE ARG A 52 -10.554 -7.254 8.188 1.00 0.00 N ATOM 766 CZ ARG A 52 -10.286 -7.332 9.487 1.00 0.00 C ATOM 767 NH1 ARG A 52 -9.153 -7.880 9.902 1.00 0.00 N ATOM 768 NH2 ARG A 52 -11.154 -6.860 10.373 1.00 0.00 N ATOM 0 H ARG A 52 -12.095 -4.913 4.458 1.00 0.00 H new ATOM 0 HA ARG A 52 -10.480 -5.447 6.865 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.650 -6.520 4.083 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.039 -6.406 4.765 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.397 -7.943 5.906 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -9.940 -8.616 5.204 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.317 -8.751 7.406 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.770 -7.114 7.101 1.00 0.00 H new ATOM 0 HE ARG A 52 -11.435 -6.826 7.902 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.484 -8.243 9.223 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.950 -7.938 10.900 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -12.027 -6.437 10.057 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.948 -6.920 11.370 1.00 0.00 H new ATOM 782 N HIS A 53 -9.594 -3.579 4.277 1.00 0.00 N ATOM 783 CA HIS A 53 -8.721 -2.485 3.869 1.00 0.00 C ATOM 784 C HIS A 53 -8.439 -1.549 5.040 1.00 0.00 C ATOM 785 O HIS A 53 -9.189 -0.604 5.288 1.00 0.00 O ATOM 786 CB HIS A 53 -9.352 -1.703 2.717 1.00 0.00 C ATOM 787 CG HIS A 53 -9.335 -2.439 1.413 1.00 0.00 C ATOM 788 ND1 HIS A 53 -10.338 -3.301 1.022 1.00 0.00 N ATOM 789 CD2 HIS A 53 -8.429 -2.438 0.407 1.00 0.00 C ATOM 790 CE1 HIS A 53 -10.049 -3.799 -0.167 1.00 0.00 C ATOM 791 NE2 HIS A 53 -8.896 -3.291 -0.563 1.00 0.00 N ATOM 0 H HIS A 53 -10.231 -3.904 3.550 1.00 0.00 H new ATOM 0 HA HIS A 53 -7.777 -2.913 3.533 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.383 -1.461 2.975 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -8.823 -0.757 2.598 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -7.510 -1.872 0.373 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -10.653 -4.502 -0.721 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -8.428 -3.498 -1.445 1.00 0.00 H new ATOM 800 N SER A 54 -7.353 -1.818 5.759 1.00 0.00 N ATOM 801 CA SER A 54 -6.975 -1.003 6.907 1.00 0.00 C ATOM 802 C SER A 54 -5.878 -0.011 6.531 1.00 0.00 C ATOM 803 O SER A 54 -4.827 -0.395 6.015 1.00 0.00 O ATOM 804 CB SER A 54 -6.501 -1.893 8.057 1.00 0.00 C ATOM 805 OG SER A 54 -7.574 -2.225 8.921 1.00 0.00 O ATOM 0 H SER A 54 -6.720 -2.594 5.566 1.00 0.00 H new ATOM 0 HA SER A 54 -7.853 -0.443 7.229 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.057 -2.804 7.656 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.722 -1.380 8.621 1.00 0.00 H new ATOM 0 HG SER A 54 -8.240 -2.749 8.429 1.00 0.00 H new ATOM 811 N LEU A 55 -6.130 1.267 6.793 1.00 0.00 N ATOM 812 CA LEU A 55 -5.165 2.316 6.483 1.00 0.00 C ATOM 813 C LEU A 55 -4.630 2.959 7.759 1.00 0.00 C ATOM 814 O LEU A 55 -4.820 4.153 7.991 1.00 0.00 O ATOM 815 CB LEU A 55 -5.808 3.381 5.593 1.00 0.00 C ATOM 816 CG LEU A 55 -6.389 2.887 4.268 1.00 0.00 C ATOM 817 CD1 LEU A 55 -5.296 2.288 3.396 1.00 0.00 C ATOM 818 CD2 LEU A 55 -7.493 1.870 4.516 1.00 0.00 C ATOM 0 H LEU A 55 -6.994 1.602 7.219 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.330 1.861 5.950 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.605 3.865 6.158 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.061 4.145 5.377 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.819 3.739 3.742 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.728 1.942 2.457 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.539 3.045 3.190 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.836 1.447 3.915 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.895 1.529 3.562 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.088 1.019 5.064 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.289 2.332 5.101 1.00 0.00 H new ATOM 830 N ARG A 56 -3.959 2.159 8.582 1.00 0.00 N ATOM 831 CA ARG A 56 -3.396 2.650 9.834 1.00 0.00 C ATOM 832 C ARG A 56 -2.331 3.711 9.572 1.00 0.00 C ATOM 833 O ARG A 56 -1.365 3.469 8.849 1.00 0.00 O ATOM 834 CB ARG A 56 -2.793 1.494 10.635 1.00 0.00 C ATOM 835 CG ARG A 56 -1.744 0.705 9.869 1.00 0.00 C ATOM 836 CD ARG A 56 -1.386 -0.588 10.585 1.00 0.00 C ATOM 837 NE ARG A 56 -1.052 -0.361 11.989 1.00 0.00 N ATOM 838 CZ ARG A 56 -0.421 -1.251 12.747 1.00 0.00 C ATOM 839 NH1 ARG A 56 -0.056 -2.420 12.239 1.00 0.00 N ATOM 840 NH2 ARG A 56 -0.152 -0.971 14.016 1.00 0.00 N ATOM 0 H ARG A 56 -3.792 1.169 8.404 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.201 3.103 10.412 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.344 1.890 11.546 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.592 0.819 10.940 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.116 0.478 8.870 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -0.848 1.314 9.745 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.223 -1.283 10.519 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -0.541 -1.059 10.083 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.318 0.529 12.410 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.260 -2.638 11.264 1.00 0.00 H new ATOM 0 HH12 ARG A 56 0.428 -3.101 12.824 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.430 -0.072 14.410 1.00 0.00 H new ATOM 0 HH22 ARG A 56 0.332 -1.655 14.597 1.00 0.00 H new ATOM 854 N GLN A 57 -2.517 4.887 10.164 1.00 0.00 N ATOM 855 CA GLN A 57 -1.572 5.984 9.993 1.00 0.00 C ATOM 856 C GLN A 57 -0.878 6.315 11.310 1.00 0.00 C ATOM 857 O GLN A 57 -1.463 6.175 12.384 1.00 0.00 O ATOM 858 CB GLN A 57 -2.291 7.224 9.457 1.00 0.00 C ATOM 859 CG GLN A 57 -2.359 7.278 7.939 1.00 0.00 C ATOM 860 CD GLN A 57 -2.551 8.687 7.414 1.00 0.00 C ATOM 861 OE1 GLN A 57 -3.680 9.150 7.244 1.00 0.00 O ATOM 862 NE2 GLN A 57 -1.447 9.377 7.153 1.00 0.00 N ATOM 0 H GLN A 57 -3.312 5.104 10.765 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.816 5.670 9.274 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.304 7.249 9.859 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -1.781 8.116 9.822 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.442 6.861 7.523 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.180 6.650 7.593 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -0.532 8.954 7.309 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -1.514 10.330 6.797 1.00 0.00 H new ATOM 871 N ASP A 58 0.373 6.753 11.220 1.00 0.00 N ATOM 872 CA ASP A 58 1.148 7.104 12.404 1.00 0.00 C ATOM 873 C ASP A 58 2.096 8.262 12.109 1.00 0.00 C ATOM 874 O ASP A 58 3.062 8.112 11.363 1.00 0.00 O ATOM 875 CB ASP A 58 1.940 5.893 12.899 1.00 0.00 C ATOM 876 CG ASP A 58 2.297 5.996 14.369 1.00 0.00 C ATOM 877 OD1 ASP A 58 1.439 5.659 15.212 1.00 0.00 O ATOM 878 OD2 ASP A 58 3.433 6.414 14.676 1.00 0.00 O ATOM 0 H ASP A 58 0.872 6.873 10.339 1.00 0.00 H new ATOM 0 HA ASP A 58 0.453 7.417 13.183 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.356 4.988 12.733 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.853 5.795 12.312 1.00 0.00 H new ATOM 883 N GLY A 59 1.812 9.419 12.701 1.00 0.00 N ATOM 884 CA GLY A 59 2.648 10.585 12.489 1.00 0.00 C ATOM 885 C GLY A 59 2.808 10.925 11.020 1.00 0.00 C ATOM 886 O GLY A 59 1.919 11.523 10.415 1.00 0.00 O ATOM 0 H GLY A 59 1.018 9.569 13.323 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.215 11.438 13.011 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.630 10.408 12.927 1.00 0.00 H new ATOM 890 N ALA A 60 3.944 10.544 10.446 1.00 0.00 N ATOM 891 CA ALA A 60 4.216 10.811 9.039 1.00 0.00 C ATOM 892 C ALA A 60 4.492 9.519 8.278 1.00 0.00 C ATOM 893 O ALA A 60 5.381 9.464 7.428 1.00 0.00 O ATOM 894 CB ALA A 60 5.392 11.767 8.902 1.00 0.00 C ATOM 0 H ALA A 60 4.691 10.049 10.934 1.00 0.00 H new ATOM 0 HA ALA A 60 3.331 11.275 8.605 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.585 11.958 7.846 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.158 12.706 9.404 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.277 11.323 9.358 1.00 0.00 H new ATOM 900 N VAL A 61 3.724 8.479 8.589 1.00 0.00 N ATOM 901 CA VAL A 61 3.885 7.187 7.934 1.00 0.00 C ATOM 902 C VAL A 61 2.544 6.478 7.779 1.00 0.00 C ATOM 903 O VAL A 61 1.802 6.314 8.747 1.00 0.00 O ATOM 904 CB VAL A 61 4.847 6.275 8.720 1.00 0.00 C ATOM 905 CG1 VAL A 61 4.983 4.925 8.033 1.00 0.00 C ATOM 906 CG2 VAL A 61 6.205 6.942 8.875 1.00 0.00 C ATOM 0 H VAL A 61 2.984 8.507 9.291 1.00 0.00 H new ATOM 0 HA VAL A 61 4.306 7.383 6.948 1.00 0.00 H new ATOM 0 HB VAL A 61 4.433 6.110 9.715 1.00 0.00 H new ATOM 0 HG11 VAL A 61 5.666 4.294 8.602 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.006 4.445 7.978 1.00 0.00 H new ATOM 0 HG13 VAL A 61 5.374 5.067 7.026 1.00 0.00 H new ATOM 0 HG21 VAL A 61 6.872 6.284 9.432 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.629 7.138 7.890 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.089 7.882 9.414 1.00 0.00 H new ATOM 916 N CYS A 62 2.241 6.061 6.555 1.00 0.00 N ATOM 917 CA CYS A 62 0.988 5.370 6.271 1.00 0.00 C ATOM 918 C CYS A 62 1.236 3.895 5.969 1.00 0.00 C ATOM 919 O CYS A 62 2.287 3.529 5.444 1.00 0.00 O ATOM 920 CB CYS A 62 0.272 6.031 5.093 1.00 0.00 C ATOM 921 SG CYS A 62 0.279 7.838 5.144 1.00 0.00 S ATOM 0 H CYS A 62 2.845 6.189 5.743 1.00 0.00 H new ATOM 0 HA CYS A 62 0.355 5.439 7.156 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.742 5.703 4.166 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -0.761 5.683 5.068 1.00 0.00 H new ATOM 0 HG CYS A 62 1.207 8.291 4.354 1.00 0.00 H new ATOM 927 N GLU A 63 0.263 3.055 6.306 1.00 0.00 N ATOM 928 CA GLU A 63 0.378 1.620 6.072 1.00 0.00 C ATOM 929 C GLU A 63 -0.952 1.037 5.605 1.00 0.00 C ATOM 930 O GLU A 63 -1.962 1.124 6.305 1.00 0.00 O ATOM 931 CB GLU A 63 0.840 0.909 7.346 1.00 0.00 C ATOM 932 CG GLU A 63 2.351 0.805 7.471 1.00 0.00 C ATOM 933 CD GLU A 63 2.788 -0.397 8.286 1.00 0.00 C ATOM 934 OE1 GLU A 63 2.845 -0.283 9.528 1.00 0.00 O ATOM 935 OE2 GLU A 63 3.071 -1.452 7.680 1.00 0.00 O ATOM 0 H GLU A 63 -0.613 3.343 6.742 1.00 0.00 H new ATOM 0 HA GLU A 63 1.119 1.463 5.288 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.448 1.442 8.212 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.412 -0.093 7.368 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.791 0.744 6.476 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.737 1.713 7.934 1.00 0.00 H new ATOM 942 N LEU A 64 -0.945 0.442 4.417 1.00 0.00 N ATOM 943 CA LEU A 64 -2.151 -0.157 3.854 1.00 0.00 C ATOM 944 C LEU A 64 -2.154 -1.668 4.058 1.00 0.00 C ATOM 945 O LEU A 64 -1.229 -2.362 3.639 1.00 0.00 O ATOM 946 CB LEU A 64 -2.257 0.169 2.363 1.00 0.00 C ATOM 947 CG LEU A 64 -3.216 -0.704 1.553 1.00 0.00 C ATOM 948 CD1 LEU A 64 -4.631 -0.591 2.099 1.00 0.00 C ATOM 949 CD2 LEU A 64 -3.177 -0.315 0.082 1.00 0.00 C ATOM 0 H LEU A 64 -0.118 0.361 3.825 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.013 0.262 4.373 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.568 1.209 2.260 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.263 0.088 1.922 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.896 -1.742 1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.299 -1.219 1.510 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.647 -0.919 3.138 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.962 0.446 2.040 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.865 -0.946 -0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.472 0.729 -0.026 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.166 -0.449 -0.303 1.00 0.00 H new ATOM 961 N GLN A 65 -3.203 -2.171 4.702 1.00 0.00 N ATOM 962 CA GLN A 65 -3.327 -3.601 4.960 1.00 0.00 C ATOM 963 C GLN A 65 -4.428 -4.215 4.102 1.00 0.00 C ATOM 964 O GLN A 65 -5.522 -3.661 3.989 1.00 0.00 O ATOM 965 CB GLN A 65 -3.619 -3.850 6.440 1.00 0.00 C ATOM 966 CG GLN A 65 -3.089 -5.181 6.949 1.00 0.00 C ATOM 967 CD GLN A 65 -3.858 -5.694 8.151 1.00 0.00 C ATOM 968 OE1 GLN A 65 -4.917 -6.306 8.010 1.00 0.00 O ATOM 969 NE2 GLN A 65 -3.327 -5.447 9.343 1.00 0.00 N ATOM 0 H GLN A 65 -3.978 -1.610 5.054 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.381 -4.075 4.699 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.180 -3.045 7.029 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.696 -3.812 6.601 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.140 -5.918 6.148 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.038 -5.071 7.215 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.447 -4.936 9.413 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.799 -5.768 10.188 1.00 0.00 H new ATOM 978 N ILE A 66 -4.131 -5.361 3.498 1.00 0.00 N ATOM 979 CA ILE A 66 -5.096 -6.050 2.651 1.00 0.00 C ATOM 980 C ILE A 66 -5.103 -7.548 2.932 1.00 0.00 C ATOM 981 O ILE A 66 -4.191 -8.270 2.528 1.00 0.00 O ATOM 982 CB ILE A 66 -4.799 -5.820 1.157 1.00 0.00 C ATOM 983 CG1 ILE A 66 -4.906 -4.332 0.816 1.00 0.00 C ATOM 984 CG2 ILE A 66 -5.751 -6.637 0.296 1.00 0.00 C ATOM 985 CD1 ILE A 66 -4.464 -4.002 -0.592 1.00 0.00 C ATOM 0 H ILE A 66 -3.230 -5.832 3.580 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.076 -5.634 2.886 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.780 -6.148 0.949 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.939 -4.010 0.949 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.301 -3.761 1.521 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.529 -6.464 -0.757 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.629 -7.696 0.523 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.778 -6.337 0.504 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.567 -2.931 -0.764 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.422 -4.292 -0.724 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.085 -4.545 -1.305 1.00 0.00 H new ATOM 997 N CYS A 67 -6.139 -8.010 3.624 1.00 0.00 N ATOM 998 CA CYS A 67 -6.266 -9.424 3.958 1.00 0.00 C ATOM 999 C CYS A 67 -6.798 -10.218 2.770 1.00 0.00 C ATOM 1000 O CYS A 67 -7.273 -9.645 1.790 1.00 0.00 O ATOM 1001 CB CYS A 67 -7.191 -9.603 5.162 1.00 0.00 C ATOM 1002 SG CYS A 67 -6.347 -9.535 6.760 1.00 0.00 S ATOM 0 H CYS A 67 -6.903 -7.426 3.964 1.00 0.00 H new ATOM 0 HA CYS A 67 -5.276 -9.803 4.210 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.958 -8.829 5.135 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -7.702 -10.562 5.074 1.00 0.00 H new ATOM 0 HG CYS A 67 -7.214 -9.695 7.716 1.00 0.00 H new ATOM 1008 N GLY A 68 -6.712 -11.542 2.863 1.00 0.00 N ATOM 1009 CA GLY A 68 -7.187 -12.393 1.788 1.00 0.00 C ATOM 1010 C GLY A 68 -6.554 -12.050 0.454 1.00 0.00 C ATOM 1011 O GLY A 68 -7.254 -11.843 -0.539 1.00 0.00 O ATOM 0 H GLY A 68 -6.322 -12.040 3.663 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.973 -13.434 2.031 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.270 -12.301 1.707 1.00 0.00 H new ATOM 1015 N LEU A 69 -5.227 -11.987 0.429 1.00 0.00 N ATOM 1016 CA LEU A 69 -4.499 -11.665 -0.794 1.00 0.00 C ATOM 1017 C LEU A 69 -4.882 -12.617 -1.923 1.00 0.00 C ATOM 1018 O LEU A 69 -5.457 -13.678 -1.684 1.00 0.00 O ATOM 1019 CB LEU A 69 -2.992 -11.729 -0.545 1.00 0.00 C ATOM 1020 CG LEU A 69 -2.336 -10.437 -0.057 1.00 0.00 C ATOM 1021 CD1 LEU A 69 -0.922 -10.708 0.433 1.00 0.00 C ATOM 1022 CD2 LEU A 69 -2.328 -9.392 -1.164 1.00 0.00 C ATOM 0 H LEU A 69 -4.633 -12.155 1.241 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.769 -10.652 -1.092 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.798 -12.511 0.189 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.504 -12.033 -1.471 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.919 -10.049 0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.471 -9.777 0.776 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.953 -11.421 1.256 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.327 -11.120 -0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.857 -8.479 -0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.769 -9.772 -2.019 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.352 -9.176 -1.468 1.00 0.00 H new ATOM 1034 N ALA A 70 -4.556 -12.230 -3.152 1.00 0.00 N ATOM 1035 CA ALA A 70 -4.861 -13.051 -4.317 1.00 0.00 C ATOM 1036 C ALA A 70 -3.941 -12.710 -5.484 1.00 0.00 C ATOM 1037 O ALA A 70 -3.803 -11.546 -5.860 1.00 0.00 O ATOM 1038 CB ALA A 70 -6.317 -12.874 -4.720 1.00 0.00 C ATOM 0 H ALA A 70 -4.081 -11.353 -3.366 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.694 -14.095 -4.050 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.531 -13.493 -5.591 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.962 -13.174 -3.894 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.503 -11.828 -4.964 1.00 0.00 H new ATOM 1044 N VAL A 71 -3.314 -13.734 -6.056 1.00 0.00 N ATOM 1045 CA VAL A 71 -2.407 -13.542 -7.181 1.00 0.00 C ATOM 1046 C VAL A 71 -2.951 -12.502 -8.154 1.00 0.00 C ATOM 1047 O VAL A 71 -2.189 -11.805 -8.823 1.00 0.00 O ATOM 1048 CB VAL A 71 -2.168 -14.862 -7.939 1.00 0.00 C ATOM 1049 CG1 VAL A 71 -1.462 -14.598 -9.261 1.00 0.00 C ATOM 1050 CG2 VAL A 71 -1.367 -15.830 -7.082 1.00 0.00 C ATOM 0 H VAL A 71 -3.418 -14.704 -5.759 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.461 -13.190 -6.769 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.134 -15.317 -8.155 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.302 -15.542 -9.783 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.077 -13.943 -9.878 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.501 -14.120 -9.071 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.207 -16.757 -7.633 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.404 -15.385 -6.834 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.915 -16.043 -6.164 1.00 0.00 H new ATOM 1060 N ALA A 72 -4.274 -12.402 -8.227 1.00 0.00 N ATOM 1061 CA ALA A 72 -4.920 -11.445 -9.116 1.00 0.00 C ATOM 1062 C ALA A 72 -4.766 -10.020 -8.594 1.00 0.00 C ATOM 1063 O ALA A 72 -4.498 -9.094 -9.359 1.00 0.00 O ATOM 1064 CB ALA A 72 -6.392 -11.791 -9.284 1.00 0.00 C ATOM 0 H ALA A 72 -4.920 -12.972 -7.681 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.431 -11.503 -10.088 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.862 -11.068 -9.951 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.485 -12.790 -9.709 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.885 -11.763 -8.313 1.00 0.00 H new ATOM 1070 N ASP A 73 -4.938 -9.852 -7.287 1.00 0.00 N ATOM 1071 CA ASP A 73 -4.818 -8.540 -6.663 1.00 0.00 C ATOM 1072 C ASP A 73 -3.500 -7.874 -7.046 1.00 0.00 C ATOM 1073 O ASP A 73 -3.418 -6.650 -7.147 1.00 0.00 O ATOM 1074 CB ASP A 73 -4.917 -8.664 -5.142 1.00 0.00 C ATOM 1075 CG ASP A 73 -6.228 -9.280 -4.695 1.00 0.00 C ATOM 1076 OD1 ASP A 73 -6.733 -10.179 -5.400 1.00 0.00 O ATOM 1077 OD2 ASP A 73 -6.750 -8.863 -3.640 1.00 0.00 O ATOM 0 H ASP A 73 -5.161 -10.608 -6.640 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.637 -7.918 -7.024 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -4.090 -9.272 -4.775 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.811 -7.677 -4.692 1.00 0.00 H new ATOM 1082 N ALA A 74 -2.472 -8.689 -7.259 1.00 0.00 N ATOM 1083 CA ALA A 74 -1.158 -8.179 -7.632 1.00 0.00 C ATOM 1084 C ALA A 74 -1.257 -7.219 -8.812 1.00 0.00 C ATOM 1085 O ALA A 74 -2.012 -7.454 -9.755 1.00 0.00 O ATOM 1086 CB ALA A 74 -0.220 -9.330 -7.963 1.00 0.00 C ATOM 0 H ALA A 74 -2.524 -9.705 -7.180 1.00 0.00 H new ATOM 0 HA ALA A 74 -0.754 -7.629 -6.782 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.757 -8.935 -8.240 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.116 -9.977 -7.092 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.628 -9.904 -8.795 1.00 0.00 H new ATOM 1092 N GLY A 75 -0.489 -6.134 -8.753 1.00 0.00 N ATOM 1093 CA GLY A 75 -0.507 -5.154 -9.824 1.00 0.00 C ATOM 1094 C GLY A 75 0.365 -3.951 -9.522 1.00 0.00 C ATOM 1095 O GLY A 75 1.565 -3.962 -9.794 1.00 0.00 O ATOM 0 H GLY A 75 0.144 -5.917 -7.984 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.167 -5.623 -10.747 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.532 -4.823 -9.993 1.00 0.00 H new ATOM 1099 N GLU A 76 -0.241 -2.910 -8.959 1.00 0.00 N ATOM 1100 CA GLU A 76 0.488 -1.693 -8.623 1.00 0.00 C ATOM 1101 C GLU A 76 -0.345 -0.792 -7.716 1.00 0.00 C ATOM 1102 O GLU A 76 -1.422 -0.333 -8.097 1.00 0.00 O ATOM 1103 CB GLU A 76 0.875 -0.935 -9.896 1.00 0.00 C ATOM 1104 CG GLU A 76 1.623 0.360 -9.629 1.00 0.00 C ATOM 1105 CD GLU A 76 2.395 0.847 -10.840 1.00 0.00 C ATOM 1106 OE1 GLU A 76 3.158 0.047 -11.419 1.00 0.00 O ATOM 1107 OE2 GLU A 76 2.235 2.030 -11.208 1.00 0.00 O ATOM 0 H GLU A 76 -1.234 -2.885 -8.726 1.00 0.00 H new ATOM 0 HA GLU A 76 1.394 -1.979 -8.089 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.494 -1.580 -10.519 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.028 -0.713 -10.465 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.914 1.128 -9.322 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.313 0.212 -8.798 1.00 0.00 H new ATOM 1114 N TYR A 77 0.161 -0.545 -6.513 1.00 0.00 N ATOM 1115 CA TYR A 77 -0.536 0.298 -5.549 1.00 0.00 C ATOM 1116 C TYR A 77 0.159 1.648 -5.401 1.00 0.00 C ATOM 1117 O TYR A 77 1.360 1.715 -5.139 1.00 0.00 O ATOM 1118 CB TYR A 77 -0.612 -0.401 -4.190 1.00 0.00 C ATOM 1119 CG TYR A 77 -1.546 -1.590 -4.171 1.00 0.00 C ATOM 1120 CD1 TYR A 77 -1.262 -2.732 -4.909 1.00 0.00 C ATOM 1121 CD2 TYR A 77 -2.711 -1.571 -3.415 1.00 0.00 C ATOM 1122 CE1 TYR A 77 -2.113 -3.821 -4.896 1.00 0.00 C ATOM 1123 CE2 TYR A 77 -3.567 -2.655 -3.394 1.00 0.00 C ATOM 1124 CZ TYR A 77 -3.264 -3.777 -4.137 1.00 0.00 C ATOM 1125 OH TYR A 77 -4.113 -4.860 -4.119 1.00 0.00 O ATOM 0 H TYR A 77 1.051 -0.917 -6.182 1.00 0.00 H new ATOM 0 HA TYR A 77 -1.547 0.470 -5.919 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.387 -0.730 -3.904 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.938 0.318 -3.439 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -0.361 -2.770 -5.503 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -2.952 -0.693 -2.833 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -1.878 -4.701 -5.476 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -4.468 -2.624 -2.799 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.876 -4.668 -3.535 1.00 0.00 H new ATOM 1135 N SER A 78 -0.606 2.721 -5.571 1.00 0.00 N ATOM 1136 CA SER A 78 -0.064 4.071 -5.460 1.00 0.00 C ATOM 1137 C SER A 78 -0.735 4.833 -4.321 1.00 0.00 C ATOM 1138 O SER A 78 -1.952 4.763 -4.144 1.00 0.00 O ATOM 1139 CB SER A 78 -0.252 4.828 -6.776 1.00 0.00 C ATOM 1140 OG SER A 78 -0.302 3.935 -7.875 1.00 0.00 O ATOM 0 H SER A 78 -1.602 2.683 -5.786 1.00 0.00 H new ATOM 0 HA SER A 78 1.001 3.992 -5.243 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.172 5.412 -6.735 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.567 5.534 -6.914 1.00 0.00 H new ATOM 0 HG SER A 78 -0.424 4.443 -8.704 1.00 0.00 H new ATOM 1146 N CYS A 79 0.067 5.562 -3.553 1.00 0.00 N ATOM 1147 CA CYS A 79 -0.447 6.338 -2.430 1.00 0.00 C ATOM 1148 C CYS A 79 -0.449 7.828 -2.755 1.00 0.00 C ATOM 1149 O CYS A 79 0.606 8.439 -2.927 1.00 0.00 O ATOM 1150 CB CYS A 79 0.391 6.078 -1.177 1.00 0.00 C ATOM 1151 SG CYS A 79 -0.505 6.321 0.374 1.00 0.00 S ATOM 0 H CYS A 79 1.076 5.632 -3.687 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.474 6.024 -2.243 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.767 5.056 -1.210 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.259 6.738 -1.190 1.00 0.00 H new ATOM 0 HG CYS A 79 -0.919 5.172 0.821 1.00 0.00 H new ATOM 1157 N VAL A 80 -1.643 8.408 -2.838 1.00 0.00 N ATOM 1158 CA VAL A 80 -1.783 9.827 -3.143 1.00 0.00 C ATOM 1159 C VAL A 80 -1.923 10.652 -1.869 1.00 0.00 C ATOM 1160 O VAL A 80 -2.700 10.309 -0.977 1.00 0.00 O ATOM 1161 CB VAL A 80 -3.002 10.089 -4.048 1.00 0.00 C ATOM 1162 CG1 VAL A 80 -2.897 11.458 -4.702 1.00 0.00 C ATOM 1163 CG2 VAL A 80 -3.131 8.995 -5.097 1.00 0.00 C ATOM 0 H VAL A 80 -2.526 7.917 -2.698 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.877 10.128 -3.670 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.901 10.076 -3.431 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.767 11.625 -5.337 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.857 12.227 -3.931 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.991 11.504 -5.307 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.997 9.196 -5.728 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.232 8.973 -5.712 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.257 8.031 -4.604 1.00 0.00 H new ATOM 1173 N CYS A 81 -1.166 11.740 -1.789 1.00 0.00 N ATOM 1174 CA CYS A 81 -1.205 12.615 -0.623 1.00 0.00 C ATOM 1175 C CYS A 81 -1.580 14.038 -1.023 1.00 0.00 C ATOM 1176 O CYS A 81 -2.217 14.762 -0.258 1.00 0.00 O ATOM 1177 CB CYS A 81 0.149 12.613 0.088 1.00 0.00 C ATOM 1178 SG CYS A 81 0.161 13.513 1.656 1.00 0.00 S ATOM 0 H CYS A 81 -0.517 12.038 -2.518 1.00 0.00 H new ATOM 0 HA CYS A 81 -1.966 12.236 0.059 1.00 0.00 H new ATOM 0 HB2 CYS A 81 0.449 11.581 0.271 1.00 0.00 H new ATOM 0 HB3 CYS A 81 0.896 13.050 -0.575 1.00 0.00 H new ATOM 0 HG CYS A 81 1.060 14.451 1.611 1.00 0.00 H new ATOM 1184 N GLY A 82 -1.179 14.435 -2.227 1.00 0.00 N ATOM 1185 CA GLY A 82 -1.481 15.770 -2.707 1.00 0.00 C ATOM 1186 C GLY A 82 -1.046 15.982 -4.144 1.00 0.00 C ATOM 1187 O GLY A 82 -1.704 15.516 -5.073 1.00 0.00 O ATOM 0 H GLY A 82 -0.650 13.855 -2.878 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.553 15.948 -2.625 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -0.987 16.503 -2.069 1.00 0.00 H new ATOM 1191 N GLU A 83 0.065 16.690 -4.326 1.00 0.00 N ATOM 1192 CA GLU A 83 0.585 16.964 -5.661 1.00 0.00 C ATOM 1193 C GLU A 83 1.432 15.799 -6.164 1.00 0.00 C ATOM 1194 O GLU A 83 1.518 15.556 -7.368 1.00 0.00 O ATOM 1195 CB GLU A 83 1.416 18.249 -5.654 1.00 0.00 C ATOM 1196 CG GLU A 83 0.578 19.516 -5.629 1.00 0.00 C ATOM 1197 CD GLU A 83 0.323 20.019 -4.222 1.00 0.00 C ATOM 1198 OE1 GLU A 83 1.290 20.094 -3.435 1.00 0.00 O ATOM 1199 OE2 GLU A 83 -0.843 20.338 -3.907 1.00 0.00 O ATOM 0 H GLU A 83 0.621 17.084 -3.567 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.262 17.092 -6.335 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.074 18.241 -4.785 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.055 18.263 -6.537 1.00 0.00 H new ATOM 0 HG2 GLU A 83 1.084 20.293 -6.202 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.376 19.326 -6.121 1.00 0.00 H new ATOM 1206 N GLU A 84 2.057 15.084 -5.234 1.00 0.00 N ATOM 1207 CA GLU A 84 2.899 13.946 -5.584 1.00 0.00 C ATOM 1208 C GLU A 84 2.168 12.630 -5.332 1.00 0.00 C ATOM 1209 O GLU A 84 1.143 12.598 -4.651 1.00 0.00 O ATOM 1210 CB GLU A 84 4.201 13.980 -4.781 1.00 0.00 C ATOM 1211 CG GLU A 84 4.776 15.377 -4.614 1.00 0.00 C ATOM 1212 CD GLU A 84 5.725 15.755 -5.735 1.00 0.00 C ATOM 1213 OE1 GLU A 84 6.376 14.847 -6.294 1.00 0.00 O ATOM 1214 OE2 GLU A 84 5.817 16.959 -6.053 1.00 0.00 O ATOM 0 H GLU A 84 1.996 15.272 -4.233 1.00 0.00 H new ATOM 0 HA GLU A 84 3.134 14.014 -6.646 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.022 13.550 -3.796 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.940 13.349 -5.275 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.961 16.099 -4.574 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.302 15.438 -3.661 1.00 0.00 H new ATOM 1221 N ARG A 85 2.703 11.547 -5.887 1.00 0.00 N ATOM 1222 CA ARG A 85 2.101 10.229 -5.724 1.00 0.00 C ATOM 1223 C ARG A 85 3.089 9.130 -6.104 1.00 0.00 C ATOM 1224 O ARG A 85 3.627 9.119 -7.212 1.00 0.00 O ATOM 1225 CB ARG A 85 0.838 10.113 -6.579 1.00 0.00 C ATOM 1226 CG ARG A 85 0.190 8.739 -6.524 1.00 0.00 C ATOM 1227 CD ARG A 85 -0.673 8.480 -7.749 1.00 0.00 C ATOM 1228 NE ARG A 85 -1.593 9.584 -8.013 1.00 0.00 N ATOM 1229 CZ ARG A 85 -2.409 9.625 -9.060 1.00 0.00 C ATOM 1230 NH1 ARG A 85 -2.420 8.630 -9.936 1.00 0.00 N ATOM 1231 NH2 ARG A 85 -3.217 10.664 -9.232 1.00 0.00 N ATOM 0 H ARG A 85 3.551 11.556 -6.453 1.00 0.00 H new ATOM 0 HA ARG A 85 1.833 10.106 -4.675 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.116 10.860 -6.249 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.087 10.347 -7.614 1.00 0.00 H new ATOM 0 HG2 ARG A 85 0.963 7.974 -6.454 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -0.420 8.659 -5.624 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -0.033 8.326 -8.618 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -1.241 7.561 -7.605 1.00 0.00 H new ATOM 0 HE ARG A 85 -1.609 10.365 -7.358 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -1.801 7.830 -9.807 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -3.048 8.664 -10.739 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -3.211 11.431 -8.560 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -3.844 10.695 -10.036 1.00 0.00 H new ATOM 1245 N THR A 86 3.324 8.206 -5.178 1.00 0.00 N ATOM 1246 CA THR A 86 4.248 7.104 -5.415 1.00 0.00 C ATOM 1247 C THR A 86 3.513 5.769 -5.450 1.00 0.00 C ATOM 1248 O THR A 86 2.367 5.668 -5.012 1.00 0.00 O ATOM 1249 CB THR A 86 5.342 7.046 -4.332 1.00 0.00 C ATOM 1250 OG1 THR A 86 6.466 6.298 -4.811 1.00 0.00 O ATOM 1251 CG2 THR A 86 4.810 6.409 -3.057 1.00 0.00 C ATOM 0 H THR A 86 2.887 8.199 -4.256 1.00 0.00 H new ATOM 0 HA THR A 86 4.715 7.285 -6.383 1.00 0.00 H new ATOM 0 HB THR A 86 5.653 8.066 -4.107 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.522 5.446 -4.329 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.601 6.379 -2.308 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.973 6.996 -2.679 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.474 5.394 -3.270 1.00 0.00 H new ATOM 1259 N SER A 87 4.180 4.745 -5.974 1.00 0.00 N ATOM 1260 CA SER A 87 3.588 3.416 -6.069 1.00 0.00 C ATOM 1261 C SER A 87 4.643 2.335 -5.850 1.00 0.00 C ATOM 1262 O SER A 87 5.838 2.622 -5.788 1.00 0.00 O ATOM 1263 CB SER A 87 2.924 3.227 -7.434 1.00 0.00 C ATOM 1264 OG SER A 87 2.151 2.039 -7.465 1.00 0.00 O ATOM 0 H SER A 87 5.130 4.811 -6.339 1.00 0.00 H new ATOM 0 HA SER A 87 2.832 3.325 -5.289 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.288 4.084 -7.654 1.00 0.00 H new ATOM 0 HB3 SER A 87 3.687 3.188 -8.211 1.00 0.00 H new ATOM 0 HG SER A 87 2.074 1.675 -6.558 1.00 0.00 H new ATOM 1270 N ALA A 88 4.190 1.091 -5.734 1.00 0.00 N ATOM 1271 CA ALA A 88 5.093 -0.034 -5.524 1.00 0.00 C ATOM 1272 C ALA A 88 4.504 -1.323 -6.085 1.00 0.00 C ATOM 1273 O ALA A 88 3.558 -1.881 -5.528 1.00 0.00 O ATOM 1274 CB ALA A 88 5.402 -0.194 -4.042 1.00 0.00 C ATOM 0 H ALA A 88 3.203 0.837 -5.782 1.00 0.00 H new ATOM 0 HA ALA A 88 6.021 0.173 -6.057 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.077 -1.038 -3.900 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.874 0.715 -3.668 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.477 -0.374 -3.495 1.00 0.00 H new ATOM 1280 N THR A 89 5.069 -1.794 -7.193 1.00 0.00 N ATOM 1281 CA THR A 89 4.599 -3.017 -7.831 1.00 0.00 C ATOM 1282 C THR A 89 4.451 -4.145 -6.816 1.00 0.00 C ATOM 1283 O THR A 89 5.438 -4.620 -6.253 1.00 0.00 O ATOM 1284 CB THR A 89 5.555 -3.470 -8.950 1.00 0.00 C ATOM 1285 OG1 THR A 89 5.755 -2.404 -9.885 1.00 0.00 O ATOM 1286 CG2 THR A 89 5.002 -4.689 -9.674 1.00 0.00 C ATOM 0 H THR A 89 5.853 -1.346 -7.667 1.00 0.00 H new ATOM 0 HA THR A 89 3.625 -2.793 -8.265 1.00 0.00 H new ATOM 0 HB THR A 89 6.509 -3.738 -8.496 1.00 0.00 H new ATOM 0 HG1 THR A 89 6.365 -2.700 -10.592 1.00 0.00 H new ATOM 0 HG21 THR A 89 5.694 -4.991 -10.460 1.00 0.00 H new ATOM 0 HG22 THR A 89 4.878 -5.508 -8.965 1.00 0.00 H new ATOM 0 HG23 THR A 89 4.037 -4.443 -10.116 1.00 0.00 H new ATOM 1294 N LEU A 90 3.214 -4.570 -6.587 1.00 0.00 N ATOM 1295 CA LEU A 90 2.937 -5.644 -5.640 1.00 0.00 C ATOM 1296 C LEU A 90 2.950 -7.001 -6.336 1.00 0.00 C ATOM 1297 O LEU A 90 2.150 -7.258 -7.237 1.00 0.00 O ATOM 1298 CB LEU A 90 1.584 -5.419 -4.964 1.00 0.00 C ATOM 1299 CG LEU A 90 1.089 -6.547 -4.058 1.00 0.00 C ATOM 1300 CD1 LEU A 90 1.952 -6.647 -2.810 1.00 0.00 C ATOM 1301 CD2 LEU A 90 -0.370 -6.330 -3.684 1.00 0.00 C ATOM 0 H LEU A 90 2.386 -4.187 -7.044 1.00 0.00 H new ATOM 0 HA LEU A 90 3.721 -5.637 -4.882 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.644 -4.505 -4.373 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.837 -5.249 -5.739 1.00 0.00 H new ATOM 0 HG LEU A 90 1.167 -7.487 -4.605 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.585 -7.455 -2.177 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.984 -6.851 -3.096 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.907 -5.707 -2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.705 -7.142 -3.039 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.473 -5.382 -3.156 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.978 -6.310 -4.588 1.00 0.00 H new ATOM 1313 N THR A 91 3.864 -7.870 -5.913 1.00 0.00 N ATOM 1314 CA THR A 91 3.981 -9.201 -6.494 1.00 0.00 C ATOM 1315 C THR A 91 3.409 -10.261 -5.560 1.00 0.00 C ATOM 1316 O THR A 91 3.915 -10.469 -4.457 1.00 0.00 O ATOM 1317 CB THR A 91 5.448 -9.548 -6.811 1.00 0.00 C ATOM 1318 OG1 THR A 91 5.968 -8.635 -7.783 1.00 0.00 O ATOM 1319 CG2 THR A 91 5.566 -10.973 -7.331 1.00 0.00 C ATOM 0 H THR A 91 4.534 -7.675 -5.169 1.00 0.00 H new ATOM 0 HA THR A 91 3.409 -9.193 -7.422 1.00 0.00 H new ATOM 0 HB THR A 91 6.026 -9.465 -5.890 1.00 0.00 H new ATOM 0 HG1 THR A 91 6.901 -8.861 -7.978 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.611 -11.196 -7.548 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.196 -11.667 -6.577 1.00 0.00 H new ATOM 0 HG23 THR A 91 4.976 -11.078 -8.241 1.00 0.00 H new ATOM 1327 N VAL A 92 2.352 -10.931 -6.008 1.00 0.00 N ATOM 1328 CA VAL A 92 1.713 -11.972 -5.213 1.00 0.00 C ATOM 1329 C VAL A 92 2.210 -13.355 -5.616 1.00 0.00 C ATOM 1330 O VAL A 92 2.345 -13.657 -6.802 1.00 0.00 O ATOM 1331 CB VAL A 92 0.180 -11.926 -5.357 1.00 0.00 C ATOM 1332 CG1 VAL A 92 -0.458 -13.118 -4.658 1.00 0.00 C ATOM 1333 CG2 VAL A 92 -0.368 -10.619 -4.806 1.00 0.00 C ATOM 0 H VAL A 92 1.920 -10.771 -6.918 1.00 0.00 H new ATOM 0 HA VAL A 92 1.979 -11.784 -4.173 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.070 -11.980 -6.417 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.541 -13.069 -4.770 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.089 -14.042 -5.104 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.202 -13.099 -3.599 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.452 -10.604 -4.916 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.109 -10.532 -3.751 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.064 -9.783 -5.356 1.00 0.00 H new ATOM 1343 N LYS A 93 2.480 -14.194 -4.622 1.00 0.00 N ATOM 1344 CA LYS A 93 2.960 -15.548 -4.872 1.00 0.00 C ATOM 1345 C LYS A 93 1.883 -16.577 -4.544 1.00 0.00 C ATOM 1346 O LYS A 93 0.854 -16.246 -3.955 1.00 0.00 O ATOM 1347 CB LYS A 93 4.216 -15.827 -4.043 1.00 0.00 C ATOM 1348 CG LYS A 93 5.254 -14.721 -4.121 1.00 0.00 C ATOM 1349 CD LYS A 93 5.529 -14.314 -5.560 1.00 0.00 C ATOM 1350 CE LYS A 93 6.313 -15.386 -6.301 1.00 0.00 C ATOM 1351 NZ LYS A 93 6.967 -14.847 -7.526 1.00 0.00 N ATOM 0 H LYS A 93 2.374 -13.960 -3.635 1.00 0.00 H new ATOM 0 HA LYS A 93 3.205 -15.630 -5.931 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.929 -15.972 -3.001 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.665 -16.760 -4.382 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.907 -13.855 -3.557 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.180 -15.056 -3.653 1.00 0.00 H new ATOM 0 HD2 LYS A 93 4.586 -14.131 -6.074 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.087 -13.378 -5.574 1.00 0.00 H new ATOM 0 HE2 LYS A 93 7.071 -15.805 -5.639 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.644 -16.201 -6.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.491 -15.608 -8.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.242 -14.470 -8.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.625 -14.086 -7.262 1.00 0.00 H new ATOM 1365 N ALA A 94 2.127 -17.826 -4.928 1.00 0.00 N ATOM 1366 CA ALA A 94 1.180 -18.903 -4.671 1.00 0.00 C ATOM 1367 C ALA A 94 1.551 -19.670 -3.406 1.00 0.00 C ATOM 1368 O ALA A 94 2.600 -20.312 -3.342 1.00 0.00 O ATOM 1369 CB ALA A 94 1.117 -19.846 -5.863 1.00 0.00 C ATOM 0 H ALA A 94 2.973 -18.116 -5.418 1.00 0.00 H new ATOM 0 HA ALA A 94 0.196 -18.460 -4.520 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.406 -20.646 -5.657 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.797 -19.294 -6.747 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.103 -20.275 -6.040 1.00 0.00 H new ATOM 1375 N LEU A 95 0.684 -19.600 -2.402 1.00 0.00 N ATOM 1376 CA LEU A 95 0.921 -20.288 -1.137 1.00 0.00 C ATOM 1377 C LEU A 95 1.009 -21.796 -1.346 1.00 0.00 C ATOM 1378 O LEU A 95 0.306 -22.375 -2.175 1.00 0.00 O ATOM 1379 CB LEU A 95 -0.194 -19.964 -0.141 1.00 0.00 C ATOM 1380 CG LEU A 95 -1.504 -20.731 -0.326 1.00 0.00 C ATOM 1381 CD1 LEU A 95 -1.396 -22.123 0.277 1.00 0.00 C ATOM 1382 CD2 LEU A 95 -2.662 -19.966 0.297 1.00 0.00 C ATOM 0 H LEU A 95 -0.189 -19.074 -2.439 1.00 0.00 H new ATOM 0 HA LEU A 95 1.872 -19.939 -0.734 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.178 -20.157 0.865 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.409 -18.897 -0.202 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.696 -20.834 -1.394 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -2.337 -22.655 0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.593 -22.671 -0.215 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.181 -22.042 1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.586 -20.526 0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.478 -19.832 1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.753 -18.991 -0.181 1.00 0.00 H new ATOM 1394 N PRO A 96 1.891 -22.450 -0.576 1.00 0.00 N ATOM 1395 CA PRO A 96 2.089 -23.900 -0.656 1.00 0.00 C ATOM 1396 C PRO A 96 0.894 -24.680 -0.119 1.00 0.00 C ATOM 1397 O PRO A 96 0.800 -24.943 1.080 1.00 0.00 O ATOM 1398 CB PRO A 96 3.321 -24.139 0.221 1.00 0.00 C ATOM 1399 CG PRO A 96 3.329 -22.999 1.181 1.00 0.00 C ATOM 1400 CD PRO A 96 2.762 -21.824 0.433 1.00 0.00 C ATOM 0 HA PRO A 96 2.209 -24.238 -1.685 1.00 0.00 H new ATOM 0 HB2 PRO A 96 3.257 -25.095 0.742 1.00 0.00 H new ATOM 0 HB3 PRO A 96 4.233 -24.161 -0.375 1.00 0.00 H new ATOM 0 HG2 PRO A 96 2.729 -23.227 2.062 1.00 0.00 H new ATOM 0 HG3 PRO A 96 4.340 -22.789 1.529 1.00 0.00 H new ATOM 0 HD2 PRO A 96 2.201 -21.161 1.092 1.00 0.00 H new ATOM 0 HD3 PRO A 96 3.547 -21.225 -0.029 1.00 0.00 H new ATOM 1408 N SER A 97 -0.017 -25.048 -1.013 1.00 0.00 N ATOM 1409 CA SER A 97 -1.209 -25.795 -0.628 1.00 0.00 C ATOM 1410 C SER A 97 -0.938 -27.296 -0.644 1.00 0.00 C ATOM 1411 O SER A 97 -0.986 -27.936 -1.694 1.00 0.00 O ATOM 1412 CB SER A 97 -2.370 -25.465 -1.569 1.00 0.00 C ATOM 1413 OG SER A 97 -2.012 -25.695 -2.920 1.00 0.00 O ATOM 0 H SER A 97 0.047 -24.841 -2.010 1.00 0.00 H new ATOM 0 HA SER A 97 -1.479 -25.503 0.387 1.00 0.00 H new ATOM 0 HB2 SER A 97 -3.236 -26.074 -1.310 1.00 0.00 H new ATOM 0 HB3 SER A 97 -2.663 -24.423 -1.439 1.00 0.00 H new ATOM 0 HG SER A 97 -1.543 -26.553 -2.993 1.00 0.00 H new ATOM 1419 N GLY A 98 -0.652 -27.852 0.529 1.00 0.00 N ATOM 1420 CA GLY A 98 -0.376 -29.274 0.629 1.00 0.00 C ATOM 1421 C GLY A 98 0.838 -29.570 1.487 1.00 0.00 C ATOM 1422 O GLY A 98 1.966 -29.644 1.000 1.00 0.00 O ATOM 0 H GLY A 98 -0.606 -27.344 1.412 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.245 -29.781 1.048 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -0.219 -29.682 -0.370 1.00 0.00 H new ATOM 1426 N PRO A 99 0.612 -29.745 2.798 1.00 0.00 N ATOM 1427 CA PRO A 99 1.685 -30.036 3.754 1.00 0.00 C ATOM 1428 C PRO A 99 2.263 -31.435 3.567 1.00 0.00 C ATOM 1429 O PRO A 99 1.553 -32.432 3.692 1.00 0.00 O ATOM 1430 CB PRO A 99 0.990 -29.922 5.113 1.00 0.00 C ATOM 1431 CG PRO A 99 -0.445 -30.205 4.829 1.00 0.00 C ATOM 1432 CD PRO A 99 -0.707 -29.671 3.448 1.00 0.00 C ATOM 0 HA PRO A 99 2.532 -29.360 3.635 1.00 0.00 H new ATOM 0 HB2 PRO A 99 1.400 -30.635 5.828 1.00 0.00 H new ATOM 0 HB3 PRO A 99 1.120 -28.929 5.542 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -0.649 -31.275 4.879 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -1.091 -29.723 5.563 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -1.449 -30.269 2.920 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -1.084 -28.649 3.477 1.00 0.00 H new ATOM 1440 N SER A 100 3.556 -31.500 3.268 1.00 0.00 N ATOM 1441 CA SER A 100 4.229 -32.777 3.061 1.00 0.00 C ATOM 1442 C SER A 100 4.127 -33.654 4.305 1.00 0.00 C ATOM 1443 O SER A 100 4.735 -33.363 5.335 1.00 0.00 O ATOM 1444 CB SER A 100 5.700 -32.551 2.703 1.00 0.00 C ATOM 1445 OG SER A 100 6.400 -31.951 3.779 1.00 0.00 O ATOM 0 H SER A 100 4.159 -30.684 3.164 1.00 0.00 H new ATOM 0 HA SER A 100 3.735 -33.289 2.235 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.166 -33.503 2.448 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.769 -31.915 1.820 1.00 0.00 H new ATOM 0 HG SER A 100 5.947 -32.162 4.622 1.00 0.00 H new ATOM 1451 N SER A 101 3.352 -34.729 4.202 1.00 0.00 N ATOM 1452 CA SER A 101 3.165 -35.647 5.319 1.00 0.00 C ATOM 1453 C SER A 101 3.831 -36.990 5.036 1.00 0.00 C ATOM 1454 O SER A 101 4.559 -37.524 5.871 1.00 0.00 O ATOM 1455 CB SER A 101 1.674 -35.852 5.595 1.00 0.00 C ATOM 1456 OG SER A 101 1.000 -36.310 4.436 1.00 0.00 O ATOM 0 H SER A 101 2.843 -34.986 3.356 1.00 0.00 H new ATOM 0 HA SER A 101 3.633 -35.208 6.200 1.00 0.00 H new ATOM 0 HB2 SER A 101 1.546 -36.573 6.403 1.00 0.00 H new ATOM 0 HB3 SER A 101 1.231 -34.915 5.931 1.00 0.00 H new ATOM 0 HG SER A 101 0.049 -36.435 4.638 1.00 0.00 H new ATOM 1462 N GLY A 102 3.573 -37.533 3.849 1.00 0.00 N ATOM 1463 CA GLY A 102 4.154 -38.809 3.475 1.00 0.00 C ATOM 1464 C GLY A 102 3.471 -39.426 2.271 1.00 0.00 C ATOM 1465 O GLY A 102 2.244 -39.510 2.221 1.00 0.00 O ATOM 0 H GLY A 102 2.972 -37.112 3.141 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.213 -38.673 3.258 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.088 -39.496 4.318 1.00 0.00 H new TER 1469 GLY A 102