USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 878 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 60 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 102 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0184) USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.111 (180deg=0) USER MOD Single : A 2 SER OG : rot -22:sc= 0.473 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.126 K(o=-0.13,f=-0.79) USER MOD Single : A 17 HIS : no HD1:sc= -0.0265 X(o=-0.027,f=0) USER MOD Single : A 19 THR OG1 : rot 70:sc= -1.08 USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -157:sc= -3.13! (180deg=-4.99!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.549 USER MOD Single : A 41 ASN : amide:sc=-0.00916 X(o=-0.0092,f=-0.44) USER MOD Single : A 42 LYS NZ :NH3+ 167:sc= -1.05 (180deg=-1.25!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 47 HIS : no HE2:sc= 0.414 K(o=0.41,f=-5.9!) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.247 X(o=-0.25,f=-0.043) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -4.35! C(o=-4.3!,f=-17!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.856 K(o=-0.86,f=-1.5) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 103:sc= 0.14 USER MOD Single : A 79 THR OG1 : rot 147:sc= -1.62 USER MOD Single : A 80 HIS : no HE2:sc= -4.84! C(o=-4.8!,f=-9!) USER MOD Single : A 81 HIS : no HD1:sc= -0.582 K(o=-0.58,f=-0.071) USER MOD Single : A 89 GLN : amide:sc= -0.226 K(o=-0.23,f=-1.8!) USER MOD Single : A 95 GLN : amide:sc= -3.67! C(o=-3.7!,f=-4.1!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl -168:sc=-0.00221 (180deg=-0.169) USER MOD Single : A 112 ASN : amide:sc= -0.728 K(o=-0.73,f=-3!) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 36:sc= 0.244 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.190 -24.725 34.701 1.00 0.00 N ATOM 2 CA GLY A 1 -0.612 -25.537 33.644 1.00 0.00 C ATOM 3 C GLY A 1 -0.502 -24.743 32.340 1.00 0.00 C ATOM 4 O GLY A 1 -0.758 -23.540 32.318 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.474 -24.549 35.434 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.511 -23.818 34.306 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.999 -25.226 35.120 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.376 -25.885 33.947 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.227 -26.423 33.484 1.00 0.00 H new ATOM 8 N SER A 2 -0.120 -25.449 31.286 1.00 0.00 N ATOM 9 CA SER A 2 0.028 -24.825 29.982 1.00 0.00 C ATOM 10 C SER A 2 0.071 -25.896 28.891 1.00 0.00 C ATOM 11 O SER A 2 0.178 -27.085 29.188 1.00 0.00 O ATOM 12 CB SER A 2 1.288 -23.958 29.925 1.00 0.00 C ATOM 13 OG SER A 2 1.347 -23.032 31.006 1.00 0.00 O ATOM 0 H SER A 2 0.091 -26.447 31.308 1.00 0.00 H new ATOM 0 HA SER A 2 -0.833 -24.178 29.813 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.170 -24.598 29.947 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.312 -23.415 28.980 1.00 0.00 H new ATOM 0 HG SER A 2 0.445 -22.881 31.357 1.00 0.00 H new ATOM 19 N SER A 3 -0.013 -25.437 27.651 1.00 0.00 N ATOM 20 CA SER A 3 0.015 -26.342 26.514 1.00 0.00 C ATOM 21 C SER A 3 0.485 -25.596 25.264 1.00 0.00 C ATOM 22 O SER A 3 0.022 -24.491 24.985 1.00 0.00 O ATOM 23 CB SER A 3 -1.360 -26.967 26.274 1.00 0.00 C ATOM 24 OG SER A 3 -2.368 -25.980 26.074 1.00 0.00 O ATOM 0 H SER A 3 -0.100 -24.450 27.408 1.00 0.00 H new ATOM 0 HA SER A 3 0.716 -27.147 26.734 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.314 -27.620 25.402 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.628 -27.591 27.126 1.00 0.00 H new ATOM 0 HG SER A 3 -3.231 -26.420 25.922 1.00 0.00 H new ATOM 30 N GLY A 4 1.399 -26.231 24.544 1.00 0.00 N ATOM 31 CA GLY A 4 1.936 -25.641 23.329 1.00 0.00 C ATOM 32 C GLY A 4 2.627 -24.308 23.626 1.00 0.00 C ATOM 33 O GLY A 4 2.575 -23.815 24.752 1.00 0.00 O ATOM 0 H GLY A 4 1.781 -27.147 24.779 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.646 -26.329 22.870 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.132 -25.486 22.610 1.00 0.00 H new ATOM 37 N SER A 5 3.257 -23.763 22.596 1.00 0.00 N ATOM 38 CA SER A 5 3.958 -22.497 22.732 1.00 0.00 C ATOM 39 C SER A 5 3.702 -21.623 21.503 1.00 0.00 C ATOM 40 O SER A 5 3.334 -20.457 21.632 1.00 0.00 O ATOM 41 CB SER A 5 5.459 -22.716 22.925 1.00 0.00 C ATOM 42 OG SER A 5 5.909 -23.916 22.301 1.00 0.00 O ATOM 0 H SER A 5 3.297 -24.175 21.664 1.00 0.00 H new ATOM 0 HA SER A 5 3.577 -21.988 23.617 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.005 -21.867 22.514 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.686 -22.755 23.991 1.00 0.00 H new ATOM 0 HG SER A 5 6.873 -24.018 22.446 1.00 0.00 H new ATOM 48 N SER A 6 3.909 -22.221 20.338 1.00 0.00 N ATOM 49 CA SER A 6 3.705 -21.511 19.087 1.00 0.00 C ATOM 50 C SER A 6 3.875 -22.471 17.908 1.00 0.00 C ATOM 51 O SER A 6 4.355 -23.591 18.078 1.00 0.00 O ATOM 52 CB SER A 6 4.675 -20.335 18.957 1.00 0.00 C ATOM 53 OG SER A 6 4.265 -19.414 17.949 1.00 0.00 O ATOM 0 H SER A 6 4.216 -23.188 20.235 1.00 0.00 H new ATOM 0 HA SER A 6 2.690 -21.113 19.081 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.747 -19.817 19.913 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.671 -20.711 18.722 1.00 0.00 H new ATOM 0 HG SER A 6 4.909 -18.677 17.898 1.00 0.00 H new ATOM 59 N GLY A 7 3.472 -21.998 16.738 1.00 0.00 N ATOM 60 CA GLY A 7 3.573 -22.800 15.530 1.00 0.00 C ATOM 61 C GLY A 7 5.018 -22.858 15.030 1.00 0.00 C ATOM 62 O GLY A 7 5.659 -23.906 15.092 1.00 0.00 O ATOM 0 H GLY A 7 3.075 -21.069 16.601 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.212 -23.809 15.728 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.933 -22.379 14.755 1.00 0.00 H new ATOM 66 N ALA A 8 5.489 -21.718 14.546 1.00 0.00 N ATOM 67 CA ALA A 8 6.846 -21.625 14.035 1.00 0.00 C ATOM 68 C ALA A 8 6.970 -22.478 12.771 1.00 0.00 C ATOM 69 O ALA A 8 6.042 -23.203 12.413 1.00 0.00 O ATOM 70 CB ALA A 8 7.832 -22.051 15.125 1.00 0.00 C ATOM 0 H ALA A 8 4.955 -20.851 14.497 1.00 0.00 H new ATOM 0 HA ALA A 8 7.084 -20.597 13.763 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.850 -21.981 14.742 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.724 -21.396 15.990 1.00 0.00 H new ATOM 0 HB3 ALA A 8 7.625 -23.079 15.421 1.00 0.00 H new ATOM 76 N THR A 9 8.123 -22.364 12.129 1.00 0.00 N ATOM 77 CA THR A 9 8.381 -23.116 10.913 1.00 0.00 C ATOM 78 C THR A 9 7.184 -23.020 9.964 1.00 0.00 C ATOM 79 O THR A 9 6.310 -23.886 9.971 1.00 0.00 O ATOM 80 CB THR A 9 8.728 -24.552 11.309 1.00 0.00 C ATOM 81 OG1 THR A 9 9.940 -24.425 12.048 1.00 0.00 O ATOM 82 CG2 THR A 9 9.115 -25.414 10.106 1.00 0.00 C ATOM 0 H THR A 9 8.890 -21.762 12.428 1.00 0.00 H new ATOM 0 HA THR A 9 9.227 -22.702 10.364 1.00 0.00 H new ATOM 0 HB THR A 9 7.877 -25.003 11.820 1.00 0.00 H new ATOM 0 HG1 THR A 9 10.236 -25.311 12.345 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.352 -26.423 10.443 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.283 -25.452 9.403 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.986 -24.982 9.614 1.00 0.00 H new ATOM 90 N LEU A 10 7.184 -21.960 9.169 1.00 0.00 N ATOM 91 CA LEU A 10 6.109 -21.740 8.216 1.00 0.00 C ATOM 92 C LEU A 10 6.602 -20.811 7.104 1.00 0.00 C ATOM 93 O LEU A 10 7.069 -19.706 7.375 1.00 0.00 O ATOM 94 CB LEU A 10 4.855 -21.232 8.930 1.00 0.00 C ATOM 95 CG LEU A 10 3.729 -22.252 9.115 1.00 0.00 C ATOM 96 CD1 LEU A 10 3.218 -22.249 10.557 1.00 0.00 C ATOM 97 CD2 LEU A 10 2.603 -22.014 8.107 1.00 0.00 C ATOM 0 H LEU A 10 7.911 -21.244 9.165 1.00 0.00 H new ATOM 0 HA LEU A 10 5.820 -22.679 7.744 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.146 -20.859 9.912 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.461 -20.383 8.371 1.00 0.00 H new ATOM 0 HG LEU A 10 4.132 -23.246 8.919 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.418 -22.983 10.661 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.034 -22.504 11.233 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.836 -21.259 10.806 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.816 -22.752 8.260 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.194 -21.013 8.247 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.996 -22.107 7.094 1.00 0.00 H new ATOM 109 N LYS A 11 6.481 -21.295 5.876 1.00 0.00 N ATOM 110 CA LYS A 11 6.908 -20.522 4.722 1.00 0.00 C ATOM 111 C LYS A 11 6.313 -19.115 4.807 1.00 0.00 C ATOM 112 O LYS A 11 5.534 -18.820 5.713 1.00 0.00 O ATOM 113 CB LYS A 11 6.562 -21.258 3.427 1.00 0.00 C ATOM 114 CG LYS A 11 5.062 -21.548 3.344 1.00 0.00 C ATOM 115 CD LYS A 11 4.749 -22.490 2.179 1.00 0.00 C ATOM 116 CE LYS A 11 4.865 -21.761 0.839 1.00 0.00 C ATOM 117 NZ LYS A 11 4.594 -22.690 -0.281 1.00 0.00 N ATOM 0 H LYS A 11 6.094 -22.212 5.655 1.00 0.00 H new ATOM 0 HA LYS A 11 7.992 -20.410 4.719 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.868 -20.657 2.570 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.120 -22.193 3.376 1.00 0.00 H new ATOM 0 HG2 LYS A 11 4.722 -21.994 4.279 1.00 0.00 H new ATOM 0 HG3 LYS A 11 4.514 -20.614 3.219 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.435 -23.337 2.197 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.742 -22.893 2.292 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.161 -20.930 0.808 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.864 -21.337 0.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.677 -22.179 -1.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.282 -23.469 -0.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.632 -23.075 -0.188 1.00 0.00 H new ATOM 131 N GLN A 12 6.702 -18.283 3.852 1.00 0.00 N ATOM 132 CA GLN A 12 6.217 -16.915 3.808 1.00 0.00 C ATOM 133 C GLN A 12 4.706 -16.895 3.563 1.00 0.00 C ATOM 134 O GLN A 12 3.922 -16.838 4.509 1.00 0.00 O ATOM 135 CB GLN A 12 6.956 -16.105 2.741 1.00 0.00 C ATOM 136 CG GLN A 12 8.109 -15.310 3.356 1.00 0.00 C ATOM 137 CD GLN A 12 9.458 -15.947 3.016 1.00 0.00 C ATOM 138 OE1 GLN A 12 9.693 -16.412 1.913 1.00 0.00 O ATOM 139 NE2 GLN A 12 10.327 -15.942 4.022 1.00 0.00 N ATOM 0 H GLN A 12 7.348 -18.531 3.102 1.00 0.00 H new ATOM 0 HA GLN A 12 6.415 -16.449 4.773 1.00 0.00 H new ATOM 0 HB2 GLN A 12 7.341 -16.775 1.973 1.00 0.00 H new ATOM 0 HB3 GLN A 12 6.261 -15.424 2.250 1.00 0.00 H new ATOM 0 HG2 GLN A 12 8.085 -14.284 2.989 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.987 -15.264 4.438 1.00 0.00 H new ATOM 0 HE21 GLN A 12 10.065 -15.536 4.920 1.00 0.00 H new ATOM 0 HE22 GLN A 12 11.256 -16.344 3.896 1.00 0.00 H new ATOM 148 N LEU A 13 4.345 -16.942 2.289 1.00 0.00 N ATOM 149 CA LEU A 13 2.943 -16.930 1.909 1.00 0.00 C ATOM 150 C LEU A 13 2.468 -15.482 1.774 1.00 0.00 C ATOM 151 O LEU A 13 2.935 -14.602 2.495 1.00 0.00 O ATOM 152 CB LEU A 13 2.114 -17.760 2.890 1.00 0.00 C ATOM 153 CG LEU A 13 0.840 -18.392 2.326 1.00 0.00 C ATOM 154 CD1 LEU A 13 -0.209 -17.324 2.010 1.00 0.00 C ATOM 155 CD2 LEU A 13 1.154 -19.265 1.109 1.00 0.00 C ATOM 0 H LEU A 13 4.999 -16.988 1.507 1.00 0.00 H new ATOM 0 HA LEU A 13 2.809 -17.402 0.936 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.746 -18.555 3.286 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.838 -17.123 3.731 1.00 0.00 H new ATOM 0 HG LEU A 13 0.415 -19.044 3.089 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.104 -17.800 1.611 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.462 -16.782 2.921 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.191 -16.628 1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.231 -19.702 0.727 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.615 -18.654 0.332 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.840 -20.061 1.399 1.00 0.00 H new ATOM 167 N ASP A 14 1.544 -15.279 0.846 1.00 0.00 N ATOM 168 CA ASP A 14 1.001 -13.953 0.607 1.00 0.00 C ATOM 169 C ASP A 14 2.077 -13.072 -0.031 1.00 0.00 C ATOM 170 O ASP A 14 2.031 -12.799 -1.229 1.00 0.00 O ATOM 171 CB ASP A 14 0.565 -13.293 1.917 1.00 0.00 C ATOM 172 CG ASP A 14 -0.931 -12.993 2.023 1.00 0.00 C ATOM 173 OD1 ASP A 14 -1.371 -12.048 1.333 1.00 0.00 O ATOM 174 OD2 ASP A 14 -1.602 -13.715 2.792 1.00 0.00 O ATOM 0 H ASP A 14 1.158 -16.011 0.250 1.00 0.00 H new ATOM 0 HA ASP A 14 0.138 -14.056 -0.051 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.850 -13.942 2.745 1.00 0.00 H new ATOM 0 HB3 ASP A 14 1.117 -12.361 2.038 1.00 0.00 H new ATOM 179 N GLY A 15 3.022 -12.653 0.799 1.00 0.00 N ATOM 180 CA GLY A 15 4.108 -11.809 0.331 1.00 0.00 C ATOM 181 C GLY A 15 3.784 -10.329 0.544 1.00 0.00 C ATOM 182 O GLY A 15 4.214 -9.478 -0.232 1.00 0.00 O ATOM 0 H GLY A 15 3.058 -12.882 1.792 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.026 -12.064 0.861 1.00 0.00 H new ATOM 0 HA3 GLY A 15 4.289 -11.997 -0.727 1.00 0.00 H new ATOM 186 N ILE A 16 3.028 -10.068 1.600 1.00 0.00 N ATOM 187 CA ILE A 16 2.641 -8.706 1.926 1.00 0.00 C ATOM 188 C ILE A 16 3.553 -8.172 3.032 1.00 0.00 C ATOM 189 O ILE A 16 3.798 -8.857 4.024 1.00 0.00 O ATOM 190 CB ILE A 16 1.152 -8.640 2.271 1.00 0.00 C ATOM 191 CG1 ILE A 16 0.329 -9.510 1.319 1.00 0.00 C ATOM 192 CG2 ILE A 16 0.658 -7.192 2.295 1.00 0.00 C ATOM 193 CD1 ILE A 16 0.307 -8.913 -0.090 1.00 0.00 C ATOM 0 H ILE A 16 2.673 -10.777 2.241 1.00 0.00 H new ATOM 0 HA ILE A 16 2.773 -8.055 1.062 1.00 0.00 H new ATOM 0 HB ILE A 16 1.016 -9.043 3.274 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.749 -10.515 1.285 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.690 -9.602 1.695 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.403 -7.174 2.543 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.215 -6.630 3.044 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.810 -6.740 1.315 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.285 -9.551 -0.746 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.135 -7.917 -0.056 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.326 -8.845 -0.472 1.00 0.00 H new ATOM 205 N HIS A 17 4.030 -6.953 2.824 1.00 0.00 N ATOM 206 CA HIS A 17 4.910 -6.319 3.792 1.00 0.00 C ATOM 207 C HIS A 17 4.474 -4.868 4.007 1.00 0.00 C ATOM 208 O HIS A 17 4.506 -4.063 3.078 1.00 0.00 O ATOM 209 CB HIS A 17 6.372 -6.442 3.358 1.00 0.00 C ATOM 210 CG HIS A 17 7.360 -5.925 4.377 1.00 0.00 C ATOM 211 ND1 HIS A 17 7.875 -6.715 5.389 1.00 0.00 N ATOM 212 CD2 HIS A 17 7.920 -4.690 4.528 1.00 0.00 C ATOM 213 CE1 HIS A 17 8.708 -5.979 6.111 1.00 0.00 C ATOM 214 NE2 HIS A 17 8.734 -4.724 5.576 1.00 0.00 N ATOM 0 H HIS A 17 3.824 -6.388 2.000 1.00 0.00 H new ATOM 0 HA HIS A 17 4.833 -6.831 4.751 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.592 -7.489 3.152 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.510 -5.897 2.424 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.733 -3.831 3.901 1.00 0.00 H new ATOM 0 HE1 HIS A 17 9.268 -6.314 6.972 1.00 0.00 H new ATOM 0 HE2 HIS A 17 9.288 -3.941 5.924 1.00 0.00 H new ATOM 222 N VAL A 18 4.079 -4.580 5.238 1.00 0.00 N ATOM 223 CA VAL A 18 3.638 -3.240 5.588 1.00 0.00 C ATOM 224 C VAL A 18 4.843 -2.298 5.599 1.00 0.00 C ATOM 225 O VAL A 18 5.972 -2.730 5.828 1.00 0.00 O ATOM 226 CB VAL A 18 2.888 -3.267 6.921 1.00 0.00 C ATOM 227 CG1 VAL A 18 1.777 -4.318 6.903 1.00 0.00 C ATOM 228 CG2 VAL A 18 3.850 -3.505 8.087 1.00 0.00 C ATOM 0 H VAL A 18 4.055 -5.251 6.006 1.00 0.00 H new ATOM 0 HA VAL A 18 2.937 -2.862 4.844 1.00 0.00 H new ATOM 0 HB VAL A 18 2.424 -2.291 7.064 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.259 -4.317 7.862 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.069 -4.085 6.108 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.210 -5.302 6.726 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.291 -3.520 9.023 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.356 -4.461 7.952 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.589 -2.704 8.118 1.00 0.00 H new ATOM 238 N THR A 19 4.563 -1.027 5.349 1.00 0.00 N ATOM 239 CA THR A 19 5.611 -0.020 5.328 1.00 0.00 C ATOM 240 C THR A 19 5.167 1.227 6.095 1.00 0.00 C ATOM 241 O THR A 19 4.236 1.917 5.681 1.00 0.00 O ATOM 242 CB THR A 19 5.967 0.260 3.867 1.00 0.00 C ATOM 243 OG1 THR A 19 6.832 -0.814 3.508 1.00 0.00 O ATOM 244 CG2 THR A 19 6.838 1.508 3.705 1.00 0.00 C ATOM 0 H THR A 19 3.626 -0.672 5.159 1.00 0.00 H new ATOM 0 HA THR A 19 6.509 -0.372 5.835 1.00 0.00 H new ATOM 0 HB THR A 19 5.051 0.378 3.287 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.318 -1.647 3.462 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.062 1.661 2.649 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.305 2.376 4.093 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.768 1.377 4.258 1.00 0.00 H new ATOM 252 N ILE A 20 5.854 1.479 7.199 1.00 0.00 N ATOM 253 CA ILE A 20 5.542 2.631 8.028 1.00 0.00 C ATOM 254 C ILE A 20 6.494 3.777 7.679 1.00 0.00 C ATOM 255 O ILE A 20 7.712 3.605 7.699 1.00 0.00 O ATOM 256 CB ILE A 20 5.559 2.247 9.509 1.00 0.00 C ATOM 257 CG1 ILE A 20 4.500 1.185 9.812 1.00 0.00 C ATOM 258 CG2 ILE A 20 5.403 3.482 10.398 1.00 0.00 C ATOM 259 CD1 ILE A 20 3.090 1.756 9.651 1.00 0.00 C ATOM 0 H ILE A 20 6.626 0.905 7.539 1.00 0.00 H new ATOM 0 HA ILE A 20 4.530 2.983 7.826 1.00 0.00 H new ATOM 0 HB ILE A 20 6.530 1.808 9.737 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.631 0.335 9.143 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.632 0.814 10.828 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.418 3.181 11.445 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.224 4.174 10.207 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.456 3.973 10.176 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.356 0.981 9.872 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.955 2.591 10.339 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.953 2.104 8.627 1.00 0.00 H new ATOM 271 N LEU A 21 5.903 4.921 7.368 1.00 0.00 N ATOM 272 CA LEU A 21 6.683 6.095 7.015 1.00 0.00 C ATOM 273 C LEU A 21 6.445 7.192 8.055 1.00 0.00 C ATOM 274 O LEU A 21 5.310 7.617 8.264 1.00 0.00 O ATOM 275 CB LEU A 21 6.378 6.531 5.580 1.00 0.00 C ATOM 276 CG LEU A 21 6.539 5.455 4.504 1.00 0.00 C ATOM 277 CD1 LEU A 21 7.778 4.598 4.767 1.00 0.00 C ATOM 278 CD2 LEU A 21 5.271 4.607 4.382 1.00 0.00 C ATOM 0 H LEU A 21 4.893 5.060 7.353 1.00 0.00 H new ATOM 0 HA LEU A 21 7.748 5.864 7.033 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.354 6.902 5.544 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.030 7.368 5.329 1.00 0.00 H new ATOM 0 HG LEU A 21 6.688 5.951 3.545 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.869 3.841 3.988 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.665 5.231 4.764 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.684 4.110 5.737 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.412 3.850 3.610 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.066 4.120 5.335 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.430 5.246 4.113 1.00 0.00 H new ATOM 290 N HIS A 22 7.533 7.619 8.678 1.00 0.00 N ATOM 291 CA HIS A 22 7.456 8.658 9.691 1.00 0.00 C ATOM 292 C HIS A 22 7.477 10.032 9.019 1.00 0.00 C ATOM 293 O HIS A 22 8.494 10.438 8.458 1.00 0.00 O ATOM 294 CB HIS A 22 8.568 8.489 10.728 1.00 0.00 C ATOM 295 CG HIS A 22 8.596 7.128 11.382 1.00 0.00 C ATOM 296 ND1 HIS A 22 7.602 6.687 12.239 1.00 0.00 N ATOM 297 CD2 HIS A 22 9.505 6.115 11.295 1.00 0.00 C ATOM 298 CE1 HIS A 22 7.911 5.464 12.644 1.00 0.00 C ATOM 299 NE2 HIS A 22 9.091 5.112 12.058 1.00 0.00 N ATOM 0 H HIS A 22 8.473 7.265 8.501 1.00 0.00 H new ATOM 0 HA HIS A 22 6.515 8.572 10.235 1.00 0.00 H new ATOM 0 HB2 HIS A 22 9.529 8.670 10.247 1.00 0.00 H new ATOM 0 HB3 HIS A 22 8.450 9.249 11.500 1.00 0.00 H new ATOM 0 HD2 HIS A 22 10.409 6.127 10.705 1.00 0.00 H new ATOM 0 HE1 HIS A 22 7.330 4.853 13.319 1.00 0.00 H new ATOM 0 HE2 HIS A 22 9.576 4.224 12.185 1.00 0.00 H new ATOM 307 N LYS A 23 6.342 10.711 9.097 1.00 0.00 N ATOM 308 CA LYS A 23 6.217 12.031 8.503 1.00 0.00 C ATOM 309 C LYS A 23 5.499 12.961 9.484 1.00 0.00 C ATOM 310 O LYS A 23 5.231 12.581 10.623 1.00 0.00 O ATOM 311 CB LYS A 23 5.540 11.941 7.134 1.00 0.00 C ATOM 312 CG LYS A 23 4.167 11.275 7.244 1.00 0.00 C ATOM 313 CD LYS A 23 3.391 11.396 5.931 1.00 0.00 C ATOM 314 CE LYS A 23 1.890 11.532 6.191 1.00 0.00 C ATOM 315 NZ LYS A 23 1.477 12.951 6.116 1.00 0.00 N ATOM 0 H LYS A 23 5.500 10.372 9.563 1.00 0.00 H new ATOM 0 HA LYS A 23 7.202 12.460 8.318 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.431 12.940 6.712 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.170 11.373 6.449 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.289 10.223 7.503 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.598 11.738 8.051 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.747 12.262 5.373 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.578 10.519 5.312 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.334 10.946 5.459 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.647 11.128 7.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.597 13.085 6.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 2.224 13.552 6.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.319 13.214 5.122 1.00 0.00 H new ATOM 329 N GLU A 24 5.208 14.162 9.006 1.00 0.00 N ATOM 330 CA GLU A 24 4.527 15.149 9.827 1.00 0.00 C ATOM 331 C GLU A 24 3.172 15.507 9.212 1.00 0.00 C ATOM 332 O GLU A 24 2.902 15.172 8.059 1.00 0.00 O ATOM 333 CB GLU A 24 5.391 16.397 10.013 1.00 0.00 C ATOM 334 CG GLU A 24 6.515 16.141 11.019 1.00 0.00 C ATOM 335 CD GLU A 24 6.839 17.407 11.815 1.00 0.00 C ATOM 336 OE1 GLU A 24 6.031 17.737 12.710 1.00 0.00 O ATOM 337 OE2 GLU A 24 7.887 18.016 11.510 1.00 0.00 O ATOM 0 H GLU A 24 5.431 14.474 8.061 1.00 0.00 H new ATOM 0 HA GLU A 24 4.354 14.717 10.813 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.817 16.695 9.055 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.771 17.225 10.358 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.222 15.343 11.702 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.407 15.799 10.494 1.00 0.00 H new ATOM 344 N GLU A 25 2.357 16.182 10.008 1.00 0.00 N ATOM 345 CA GLU A 25 1.037 16.589 9.556 1.00 0.00 C ATOM 346 C GLU A 25 1.154 17.549 8.371 1.00 0.00 C ATOM 347 O GLU A 25 1.463 18.727 8.550 1.00 0.00 O ATOM 348 CB GLU A 25 0.237 17.221 10.697 1.00 0.00 C ATOM 349 CG GLU A 25 -0.848 16.267 11.201 1.00 0.00 C ATOM 350 CD GLU A 25 -1.170 16.531 12.673 1.00 0.00 C ATOM 351 OE1 GLU A 25 -0.226 16.437 13.486 1.00 0.00 O ATOM 352 OE2 GLU A 25 -2.354 16.820 12.951 1.00 0.00 O ATOM 0 H GLU A 25 2.585 16.458 10.963 1.00 0.00 H new ATOM 0 HA GLU A 25 0.498 15.701 9.227 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.908 17.480 11.516 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.220 18.149 10.354 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.750 16.387 10.601 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.517 15.236 11.077 1.00 0.00 H new ATOM 359 N GLY A 26 0.902 17.011 7.187 1.00 0.00 N ATOM 360 CA GLY A 26 0.975 17.806 5.973 1.00 0.00 C ATOM 361 C GLY A 26 2.400 17.825 5.415 1.00 0.00 C ATOM 362 O GLY A 26 2.819 18.808 4.806 1.00 0.00 O ATOM 0 H GLY A 26 0.647 16.034 7.042 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.293 17.399 5.226 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.648 18.825 6.181 1.00 0.00 H new ATOM 366 N ALA A 27 3.104 16.726 5.642 1.00 0.00 N ATOM 367 CA ALA A 27 4.473 16.603 5.170 1.00 0.00 C ATOM 368 C ALA A 27 4.486 15.820 3.856 1.00 0.00 C ATOM 369 O ALA A 27 5.344 16.046 3.003 1.00 0.00 O ATOM 370 CB ALA A 27 5.329 15.941 6.251 1.00 0.00 C ATOM 0 H ALA A 27 2.752 15.912 6.147 1.00 0.00 H new ATOM 0 HA ALA A 27 4.900 17.586 4.973 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.356 15.849 5.897 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.310 16.551 7.154 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.932 14.951 6.474 1.00 0.00 H new ATOM 376 N GLY A 28 3.525 14.916 3.733 1.00 0.00 N ATOM 377 CA GLY A 28 3.416 14.099 2.537 1.00 0.00 C ATOM 378 C GLY A 28 4.132 12.759 2.721 1.00 0.00 C ATOM 379 O GLY A 28 5.012 12.633 3.570 1.00 0.00 O ATOM 0 H GLY A 28 2.815 14.732 4.442 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.365 13.925 2.306 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.845 14.631 1.688 1.00 0.00 H new ATOM 383 N LEU A 29 3.727 11.792 1.910 1.00 0.00 N ATOM 384 CA LEU A 29 4.319 10.467 1.973 1.00 0.00 C ATOM 385 C LEU A 29 5.642 10.467 1.204 1.00 0.00 C ATOM 386 O LEU A 29 6.651 9.965 1.697 1.00 0.00 O ATOM 387 CB LEU A 29 3.324 9.412 1.485 1.00 0.00 C ATOM 388 CG LEU A 29 1.844 9.748 1.673 1.00 0.00 C ATOM 389 CD1 LEU A 29 0.960 8.548 1.326 1.00 0.00 C ATOM 390 CD2 LEU A 29 1.575 10.269 3.086 1.00 0.00 C ATOM 0 H LEU A 29 2.996 11.900 1.206 1.00 0.00 H new ATOM 0 HA LEU A 29 4.550 10.201 3.005 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.504 9.235 0.425 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.533 8.477 2.005 1.00 0.00 H new ATOM 0 HG LEU A 29 1.585 10.549 0.980 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.087 8.814 1.468 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.124 8.264 0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.213 7.710 1.976 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.515 10.500 3.193 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.855 9.508 3.814 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.162 11.171 3.259 1.00 0.00 H new ATOM 402 N GLY A 30 5.595 11.036 0.008 1.00 0.00 N ATOM 403 CA GLY A 30 6.777 11.108 -0.833 1.00 0.00 C ATOM 404 C GLY A 30 6.514 10.477 -2.203 1.00 0.00 C ATOM 405 O GLY A 30 7.385 10.487 -3.072 1.00 0.00 O ATOM 0 H GLY A 30 4.757 11.451 -0.398 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.075 12.149 -0.959 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.606 10.596 -0.346 1.00 0.00 H new ATOM 409 N PHE A 31 5.311 9.943 -2.352 1.00 0.00 N ATOM 410 CA PHE A 31 4.923 9.309 -3.600 1.00 0.00 C ATOM 411 C PHE A 31 3.476 9.650 -3.962 1.00 0.00 C ATOM 412 O PHE A 31 2.780 10.313 -3.194 1.00 0.00 O ATOM 413 CB PHE A 31 5.041 7.798 -3.390 1.00 0.00 C ATOM 414 CG PHE A 31 3.904 7.194 -2.565 1.00 0.00 C ATOM 415 CD1 PHE A 31 3.840 7.420 -1.226 1.00 0.00 C ATOM 416 CD2 PHE A 31 2.956 6.430 -3.171 1.00 0.00 C ATOM 417 CE1 PHE A 31 2.784 6.859 -0.460 1.00 0.00 C ATOM 418 CE2 PHE A 31 1.900 5.869 -2.406 1.00 0.00 C ATOM 419 CZ PHE A 31 1.836 6.095 -1.066 1.00 0.00 C ATOM 0 H PHE A 31 4.592 9.936 -1.629 1.00 0.00 H new ATOM 0 HA PHE A 31 5.564 9.659 -4.409 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.070 7.308 -4.363 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.989 7.583 -2.896 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.593 8.027 -0.745 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.007 6.250 -4.235 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.734 7.039 0.604 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.147 5.263 -2.888 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.033 5.668 -0.484 1.00 0.00 H new ATOM 429 N SER A 32 3.065 9.181 -5.131 1.00 0.00 N ATOM 430 CA SER A 32 1.714 9.428 -5.604 1.00 0.00 C ATOM 431 C SER A 32 1.060 8.112 -6.031 1.00 0.00 C ATOM 432 O SER A 32 1.717 7.073 -6.070 1.00 0.00 O ATOM 433 CB SER A 32 1.710 10.424 -6.765 1.00 0.00 C ATOM 434 OG SER A 32 0.452 10.459 -7.434 1.00 0.00 O ATOM 0 H SER A 32 3.645 8.631 -5.765 1.00 0.00 H new ATOM 0 HA SER A 32 1.140 9.863 -4.786 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.949 11.419 -6.390 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.491 10.155 -7.476 1.00 0.00 H new ATOM 0 HG SER A 32 0.490 11.108 -8.168 1.00 0.00 H new ATOM 440 N LEU A 33 -0.225 8.200 -6.340 1.00 0.00 N ATOM 441 CA LEU A 33 -0.974 7.029 -6.763 1.00 0.00 C ATOM 442 C LEU A 33 -1.079 7.020 -8.289 1.00 0.00 C ATOM 443 O LEU A 33 -0.882 8.048 -8.935 1.00 0.00 O ATOM 444 CB LEU A 33 -2.329 6.975 -6.053 1.00 0.00 C ATOM 445 CG LEU A 33 -2.284 6.933 -4.524 1.00 0.00 C ATOM 446 CD1 LEU A 33 -3.542 6.275 -3.957 1.00 0.00 C ATOM 447 CD2 LEU A 33 -1.007 6.249 -4.032 1.00 0.00 C ATOM 0 H LEU A 33 -0.767 9.064 -6.306 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.451 6.117 -6.474 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.910 7.846 -6.356 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.867 6.095 -6.405 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.263 7.958 -4.154 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.485 6.258 -2.869 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.420 6.843 -4.265 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.620 5.255 -4.332 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.000 6.232 -2.942 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.972 5.228 -4.411 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.138 6.799 -4.392 1.00 0.00 H new ATOM 459 N ALA A 34 -1.390 5.847 -8.822 1.00 0.00 N ATOM 460 CA ALA A 34 -1.523 5.691 -10.261 1.00 0.00 C ATOM 461 C ALA A 34 -2.662 4.713 -10.559 1.00 0.00 C ATOM 462 O ALA A 34 -2.951 3.827 -9.757 1.00 0.00 O ATOM 463 CB ALA A 34 -0.189 5.229 -10.850 1.00 0.00 C ATOM 0 H ALA A 34 -1.554 4.996 -8.284 1.00 0.00 H new ATOM 0 HA ALA A 34 -1.773 6.643 -10.729 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.289 5.112 -11.929 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.580 5.971 -10.635 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.094 4.274 -10.406 1.00 0.00 H new ATOM 469 N GLY A 35 -3.277 4.907 -11.716 1.00 0.00 N ATOM 470 CA GLY A 35 -4.378 4.054 -12.131 1.00 0.00 C ATOM 471 C GLY A 35 -5.579 4.215 -11.197 1.00 0.00 C ATOM 472 O GLY A 35 -5.592 5.101 -10.344 1.00 0.00 O ATOM 0 H GLY A 35 -3.034 5.643 -12.380 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.670 4.302 -13.151 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.054 3.013 -12.137 1.00 0.00 H new ATOM 476 N GLY A 36 -6.558 3.344 -11.389 1.00 0.00 N ATOM 477 CA GLY A 36 -7.761 3.378 -10.574 1.00 0.00 C ATOM 478 C GLY A 36 -8.684 2.205 -10.910 1.00 0.00 C ATOM 479 O GLY A 36 -8.219 1.139 -11.311 1.00 0.00 O ATOM 0 H GLY A 36 -6.543 2.610 -12.097 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.491 3.342 -9.519 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.288 4.318 -10.736 1.00 0.00 H new ATOM 483 N ALA A 37 -9.976 2.440 -10.733 1.00 0.00 N ATOM 484 CA ALA A 37 -10.968 1.417 -11.012 1.00 0.00 C ATOM 485 C ALA A 37 -11.534 1.631 -12.417 1.00 0.00 C ATOM 486 O ALA A 37 -11.898 0.672 -13.096 1.00 0.00 O ATOM 487 CB ALA A 37 -12.054 1.451 -9.934 1.00 0.00 C ATOM 0 H ALA A 37 -10.358 3.325 -10.400 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.515 0.426 -10.987 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -12.799 0.683 -10.143 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -11.605 1.264 -8.959 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -12.533 2.430 -9.931 1.00 0.00 H new ATOM 493 N ASP A 38 -11.591 2.895 -12.811 1.00 0.00 N ATOM 494 CA ASP A 38 -12.107 3.247 -14.123 1.00 0.00 C ATOM 495 C ASP A 38 -10.992 3.098 -15.161 1.00 0.00 C ATOM 496 O ASP A 38 -11.262 3.005 -16.358 1.00 0.00 O ATOM 497 CB ASP A 38 -12.590 4.698 -14.154 1.00 0.00 C ATOM 498 CG ASP A 38 -13.403 5.083 -15.391 1.00 0.00 C ATOM 499 OD1 ASP A 38 -12.773 5.232 -16.460 1.00 0.00 O ATOM 500 OD2 ASP A 38 -14.636 5.220 -15.240 1.00 0.00 O ATOM 0 H ASP A 38 -11.288 3.688 -12.245 1.00 0.00 H new ATOM 0 HA ASP A 38 -12.943 2.584 -14.346 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -13.197 4.882 -13.267 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -11.723 5.355 -14.089 1.00 0.00 H new ATOM 505 N LEU A 39 -9.764 3.079 -14.665 1.00 0.00 N ATOM 506 CA LEU A 39 -8.608 2.942 -15.534 1.00 0.00 C ATOM 507 C LEU A 39 -8.377 1.461 -15.840 1.00 0.00 C ATOM 508 O LEU A 39 -9.197 0.615 -15.487 1.00 0.00 O ATOM 509 CB LEU A 39 -7.392 3.641 -14.922 1.00 0.00 C ATOM 510 CG LEU A 39 -7.445 5.169 -14.884 1.00 0.00 C ATOM 511 CD1 LEU A 39 -8.614 5.656 -14.027 1.00 0.00 C ATOM 512 CD2 LEU A 39 -6.110 5.753 -14.417 1.00 0.00 C ATOM 0 H LEU A 39 -9.544 3.156 -13.672 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.787 3.440 -16.487 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.263 3.276 -13.903 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.506 3.342 -15.482 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.617 5.530 -15.898 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.629 6.746 -14.017 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.550 5.284 -14.444 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.498 5.285 -13.009 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.175 6.841 -14.399 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.883 5.387 -13.416 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.320 5.448 -15.103 1.00 0.00 H new ATOM 524 N GLU A 40 -7.256 1.192 -16.494 1.00 0.00 N ATOM 525 CA GLU A 40 -6.907 -0.172 -16.852 1.00 0.00 C ATOM 526 C GLU A 40 -6.322 -0.905 -15.642 1.00 0.00 C ATOM 527 O GLU A 40 -6.525 -2.107 -15.482 1.00 0.00 O ATOM 528 CB GLU A 40 -5.934 -0.198 -18.032 1.00 0.00 C ATOM 529 CG GLU A 40 -6.648 0.153 -19.339 1.00 0.00 C ATOM 530 CD GLU A 40 -6.238 -0.802 -20.461 1.00 0.00 C ATOM 531 OE1 GLU A 40 -6.796 -1.921 -20.487 1.00 0.00 O ATOM 532 OE2 GLU A 40 -5.376 -0.393 -21.269 1.00 0.00 O ATOM 0 H GLU A 40 -6.578 1.896 -16.785 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.815 -0.689 -17.162 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.123 0.509 -17.855 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.483 -1.187 -18.114 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.727 0.105 -19.192 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.410 1.178 -19.624 1.00 0.00 H new ATOM 539 N ASN A 41 -5.607 -0.149 -14.822 1.00 0.00 N ATOM 540 CA ASN A 41 -4.991 -0.711 -13.632 1.00 0.00 C ATOM 541 C ASN A 41 -5.994 -0.673 -12.478 1.00 0.00 C ATOM 542 O ASN A 41 -6.019 0.283 -11.704 1.00 0.00 O ATOM 543 CB ASN A 41 -3.759 0.096 -13.216 1.00 0.00 C ATOM 544 CG ASN A 41 -2.590 -0.157 -14.169 1.00 0.00 C ATOM 545 OD1 ASN A 41 -2.293 -1.279 -14.545 1.00 0.00 O ATOM 546 ND2 ASN A 41 -1.944 0.946 -14.538 1.00 0.00 N ATOM 0 H ASN A 41 -5.440 0.848 -14.958 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.692 -1.734 -13.858 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.002 1.159 -13.207 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.470 -0.173 -12.200 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -1.148 0.883 -15.173 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -2.245 1.855 -14.186 1.00 0.00 H new ATOM 553 N LYS A 42 -6.795 -1.725 -12.398 1.00 0.00 N ATOM 554 CA LYS A 42 -7.797 -1.824 -11.350 1.00 0.00 C ATOM 555 C LYS A 42 -7.125 -1.640 -9.988 1.00 0.00 C ATOM 556 O LYS A 42 -7.788 -1.316 -9.004 1.00 0.00 O ATOM 557 CB LYS A 42 -8.579 -3.133 -11.479 1.00 0.00 C ATOM 558 CG LYS A 42 -9.761 -2.974 -12.437 1.00 0.00 C ATOM 559 CD LYS A 42 -10.676 -1.832 -11.995 1.00 0.00 C ATOM 560 CE LYS A 42 -12.145 -2.257 -12.038 1.00 0.00 C ATOM 561 NZ LYS A 42 -13.016 -1.167 -11.546 1.00 0.00 N ATOM 0 H LYS A 42 -6.771 -2.516 -13.041 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.534 -1.028 -11.451 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.918 -3.921 -11.839 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.940 -3.443 -10.498 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.393 -2.781 -13.445 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.328 -3.904 -12.478 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.413 -1.522 -10.984 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.525 -0.969 -12.643 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.424 -2.520 -13.058 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.289 -3.149 -11.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -14.006 -1.380 -11.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.918 -1.083 -10.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.737 -0.271 -11.994 1.00 0.00 H new ATOM 575 N VAL A 43 -5.818 -1.856 -9.975 1.00 0.00 N ATOM 576 CA VAL A 43 -5.049 -1.718 -8.750 1.00 0.00 C ATOM 577 C VAL A 43 -4.232 -0.426 -8.808 1.00 0.00 C ATOM 578 O VAL A 43 -3.446 -0.226 -9.733 1.00 0.00 O ATOM 579 CB VAL A 43 -4.185 -2.962 -8.531 1.00 0.00 C ATOM 580 CG1 VAL A 43 -4.545 -3.655 -7.215 1.00 0.00 C ATOM 581 CG2 VAL A 43 -4.308 -3.929 -9.711 1.00 0.00 C ATOM 0 H VAL A 43 -5.272 -2.126 -10.793 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.713 -1.644 -7.889 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.145 -2.641 -8.467 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.916 -4.536 -7.084 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.383 -2.967 -6.385 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.592 -3.957 -7.237 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.684 -4.805 -9.530 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.347 -4.240 -9.820 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.980 -3.432 -10.624 1.00 0.00 H new ATOM 591 N ILE A 44 -4.445 0.417 -7.809 1.00 0.00 N ATOM 592 CA ILE A 44 -3.739 1.685 -7.735 1.00 0.00 C ATOM 593 C ILE A 44 -2.247 1.420 -7.518 1.00 0.00 C ATOM 594 O ILE A 44 -1.844 0.962 -6.450 1.00 0.00 O ATOM 595 CB ILE A 44 -4.365 2.586 -6.669 1.00 0.00 C ATOM 596 CG1 ILE A 44 -5.655 3.228 -7.183 1.00 0.00 C ATOM 597 CG2 ILE A 44 -3.362 3.631 -6.177 1.00 0.00 C ATOM 598 CD1 ILE A 44 -6.748 2.176 -7.386 1.00 0.00 C ATOM 0 H ILE A 44 -5.097 0.247 -7.043 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.834 2.230 -8.674 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.632 1.967 -5.812 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.998 3.982 -6.474 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.460 3.741 -8.125 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.832 4.258 -5.420 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.496 3.129 -5.746 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.042 4.251 -7.015 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.654 2.659 -7.752 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.411 1.437 -8.114 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.958 1.682 -6.438 1.00 0.00 H new ATOM 610 N THR A 45 -1.470 1.720 -8.548 1.00 0.00 N ATOM 611 CA THR A 45 -0.032 1.520 -8.483 1.00 0.00 C ATOM 612 C THR A 45 0.671 2.825 -8.105 1.00 0.00 C ATOM 613 O THR A 45 0.049 3.886 -8.083 1.00 0.00 O ATOM 614 CB THR A 45 0.427 0.949 -9.826 1.00 0.00 C ATOM 615 OG1 THR A 45 -0.370 1.636 -10.786 1.00 0.00 O ATOM 616 CG2 THR A 45 0.039 -0.520 -10.001 1.00 0.00 C ATOM 0 H THR A 45 -1.809 2.100 -9.432 1.00 0.00 H new ATOM 0 HA THR A 45 0.234 0.807 -7.703 1.00 0.00 H new ATOM 0 HB THR A 45 1.509 1.051 -9.913 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.136 1.328 -11.686 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.388 -0.876 -10.970 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.497 -1.114 -9.210 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.045 -0.619 -9.948 1.00 0.00 H new ATOM 624 N VAL A 46 1.959 2.704 -7.817 1.00 0.00 N ATOM 625 CA VAL A 46 2.754 3.861 -7.441 1.00 0.00 C ATOM 626 C VAL A 46 3.152 4.632 -8.701 1.00 0.00 C ATOM 627 O VAL A 46 4.044 4.211 -9.436 1.00 0.00 O ATOM 628 CB VAL A 46 3.957 3.421 -6.605 1.00 0.00 C ATOM 629 CG1 VAL A 46 4.765 4.629 -6.128 1.00 0.00 C ATOM 630 CG2 VAL A 46 3.516 2.555 -5.424 1.00 0.00 C ATOM 0 H VAL A 46 2.472 1.822 -7.837 1.00 0.00 H new ATOM 0 HA VAL A 46 2.171 4.537 -6.816 1.00 0.00 H new ATOM 0 HB VAL A 46 4.604 2.816 -7.241 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.614 4.288 -5.536 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.126 5.189 -6.991 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.132 5.272 -5.517 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.390 2.256 -4.846 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.838 3.125 -4.788 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.005 1.667 -5.795 1.00 0.00 H new ATOM 640 N HIS A 47 2.470 5.749 -8.914 1.00 0.00 N ATOM 641 CA HIS A 47 2.742 6.582 -10.072 1.00 0.00 C ATOM 642 C HIS A 47 4.221 6.972 -10.089 1.00 0.00 C ATOM 643 O HIS A 47 4.946 6.634 -11.023 1.00 0.00 O ATOM 644 CB HIS A 47 1.808 7.794 -10.100 1.00 0.00 C ATOM 645 CG HIS A 47 2.102 8.770 -11.214 1.00 0.00 C ATOM 646 ND1 HIS A 47 1.611 10.064 -11.227 1.00 0.00 N ATOM 647 CD2 HIS A 47 2.842 8.629 -12.351 1.00 0.00 C ATOM 648 CE1 HIS A 47 2.041 10.664 -12.327 1.00 0.00 C ATOM 649 NE2 HIS A 47 2.804 9.773 -13.023 1.00 0.00 N ATOM 0 H HIS A 47 1.730 6.096 -8.304 1.00 0.00 H new ATOM 0 HA HIS A 47 2.541 6.020 -10.984 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.780 7.445 -10.198 1.00 0.00 H new ATOM 0 HB3 HIS A 47 1.878 8.316 -9.146 1.00 0.00 H new ATOM 0 HD1 HIS A 47 1.019 10.484 -10.511 1.00 0.00 H new ATOM 0 HD2 HIS A 47 3.370 7.737 -12.654 1.00 0.00 H new ATOM 0 HE1 HIS A 47 1.825 11.681 -12.621 1.00 0.00 H new ATOM 657 N ARG A 48 4.625 7.679 -9.043 1.00 0.00 N ATOM 658 CA ARG A 48 6.005 8.119 -8.926 1.00 0.00 C ATOM 659 C ARG A 48 6.424 8.164 -7.455 1.00 0.00 C ATOM 660 O ARG A 48 5.578 8.255 -6.567 1.00 0.00 O ATOM 661 CB ARG A 48 6.196 9.505 -9.545 1.00 0.00 C ATOM 662 CG ARG A 48 7.062 9.428 -10.804 1.00 0.00 C ATOM 663 CD ARG A 48 6.200 9.470 -12.067 1.00 0.00 C ATOM 664 NE ARG A 48 6.972 10.049 -13.189 1.00 0.00 N ATOM 665 CZ ARG A 48 6.419 10.554 -14.300 1.00 0.00 C ATOM 666 NH1 ARG A 48 5.087 10.555 -14.444 1.00 0.00 N ATOM 667 NH2 ARG A 48 7.198 11.059 -15.266 1.00 0.00 N ATOM 0 H ARG A 48 4.021 7.958 -8.270 1.00 0.00 H new ATOM 0 HA ARG A 48 6.628 7.404 -9.464 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.225 9.934 -9.793 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.662 10.171 -8.819 1.00 0.00 H new ATOM 0 HG2 ARG A 48 7.769 10.258 -10.814 1.00 0.00 H new ATOM 0 HG3 ARG A 48 7.649 8.509 -10.790 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.868 8.464 -12.324 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.304 10.064 -11.886 1.00 0.00 H new ATOM 0 HE ARG A 48 7.989 10.065 -13.112 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.494 10.171 -13.708 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.666 10.939 -15.290 1.00 0.00 H new ATOM 0 HH21 ARG A 48 8.212 11.059 -15.156 1.00 0.00 H new ATOM 0 HH22 ARG A 48 6.777 11.443 -16.112 1.00 0.00 H new ATOM 681 N VAL A 49 7.730 8.097 -7.243 1.00 0.00 N ATOM 682 CA VAL A 49 8.272 8.129 -5.895 1.00 0.00 C ATOM 683 C VAL A 49 9.323 9.237 -5.798 1.00 0.00 C ATOM 684 O VAL A 49 10.489 9.022 -6.125 1.00 0.00 O ATOM 685 CB VAL A 49 8.821 6.751 -5.519 1.00 0.00 C ATOM 686 CG1 VAL A 49 9.221 6.704 -4.043 1.00 0.00 C ATOM 687 CG2 VAL A 49 7.810 5.650 -5.848 1.00 0.00 C ATOM 0 H VAL A 49 8.429 8.021 -7.982 1.00 0.00 H new ATOM 0 HA VAL A 49 7.488 8.360 -5.174 1.00 0.00 H new ATOM 0 HB VAL A 49 9.716 6.573 -6.115 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.608 5.714 -3.802 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.991 7.451 -3.851 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.349 6.914 -3.423 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.225 4.681 -5.571 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.889 5.823 -5.291 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.595 5.661 -6.917 1.00 0.00 H new ATOM 697 N PHE A 50 8.872 10.398 -5.348 1.00 0.00 N ATOM 698 CA PHE A 50 9.758 11.540 -5.204 1.00 0.00 C ATOM 699 C PHE A 50 11.141 11.103 -4.717 1.00 0.00 C ATOM 700 O PHE A 50 11.273 10.079 -4.048 1.00 0.00 O ATOM 701 CB PHE A 50 9.131 12.465 -4.158 1.00 0.00 C ATOM 702 CG PHE A 50 7.666 12.811 -4.433 1.00 0.00 C ATOM 703 CD1 PHE A 50 7.145 12.625 -5.675 1.00 0.00 C ATOM 704 CD2 PHE A 50 6.886 13.305 -3.434 1.00 0.00 C ATOM 705 CE1 PHE A 50 5.785 12.947 -5.930 1.00 0.00 C ATOM 706 CE2 PHE A 50 5.526 13.627 -3.689 1.00 0.00 C ATOM 707 CZ PHE A 50 5.005 13.441 -4.931 1.00 0.00 C ATOM 0 H PHE A 50 7.904 10.573 -5.078 1.00 0.00 H new ATOM 0 HA PHE A 50 9.881 12.038 -6.166 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.205 11.992 -3.179 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.709 13.388 -4.111 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.765 12.233 -6.468 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.300 13.452 -2.448 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.371 12.800 -6.916 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.906 14.019 -2.896 1.00 0.00 H new ATOM 0 HZ PHE A 50 3.971 13.686 -5.125 1.00 0.00 H new ATOM 717 N PRO A 51 12.164 11.923 -5.080 1.00 0.00 N ATOM 718 CA PRO A 51 13.532 11.631 -4.687 1.00 0.00 C ATOM 719 C PRO A 51 13.757 11.948 -3.207 1.00 0.00 C ATOM 720 O PRO A 51 14.603 11.334 -2.559 1.00 0.00 O ATOM 721 CB PRO A 51 14.395 12.473 -5.613 1.00 0.00 C ATOM 722 CG PRO A 51 13.479 13.549 -6.173 1.00 0.00 C ATOM 723 CD PRO A 51 12.045 13.144 -5.871 1.00 0.00 C ATOM 0 HA PRO A 51 13.781 10.574 -4.783 1.00 0.00 H new ATOM 0 HB2 PRO A 51 15.232 12.915 -5.072 1.00 0.00 H new ATOM 0 HB3 PRO A 51 14.818 11.865 -6.413 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.706 14.515 -5.723 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.627 13.655 -7.248 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.521 13.924 -5.319 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.482 12.969 -6.787 1.00 0.00 H new ATOM 731 N ASN A 52 12.985 12.907 -2.716 1.00 0.00 N ATOM 732 CA ASN A 52 13.090 13.313 -1.325 1.00 0.00 C ATOM 733 C ASN A 52 11.767 13.024 -0.613 1.00 0.00 C ATOM 734 O ASN A 52 10.905 13.896 -0.518 1.00 0.00 O ATOM 735 CB ASN A 52 13.371 14.813 -1.209 1.00 0.00 C ATOM 736 CG ASN A 52 14.612 15.202 -2.015 1.00 0.00 C ATOM 737 OD1 ASN A 52 14.546 15.928 -2.993 1.00 0.00 O ATOM 738 ND2 ASN A 52 15.744 14.680 -1.551 1.00 0.00 N ATOM 0 H ASN A 52 12.285 13.414 -3.257 1.00 0.00 H new ATOM 0 HA ASN A 52 13.910 12.756 -0.872 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.509 15.377 -1.566 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.515 15.080 -0.162 1.00 0.00 H new ATOM 0 HD21 ASN A 52 16.628 14.880 -2.020 1.00 0.00 H new ATOM 0 HD22 ASN A 52 15.728 14.080 -0.727 1.00 0.00 H new ATOM 745 N GLY A 53 11.648 11.795 -0.131 1.00 0.00 N ATOM 746 CA GLY A 53 10.444 11.380 0.569 1.00 0.00 C ATOM 747 C GLY A 53 10.704 10.128 1.409 1.00 0.00 C ATOM 748 O GLY A 53 11.854 9.776 1.667 1.00 0.00 O ATOM 0 H GLY A 53 12.365 11.074 -0.211 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.096 12.188 1.212 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.650 11.181 -0.151 1.00 0.00 H new ATOM 752 N LEU A 54 9.615 9.489 1.813 1.00 0.00 N ATOM 753 CA LEU A 54 9.710 8.283 2.618 1.00 0.00 C ATOM 754 C LEU A 54 9.616 7.058 1.707 1.00 0.00 C ATOM 755 O LEU A 54 10.501 6.203 1.717 1.00 0.00 O ATOM 756 CB LEU A 54 8.665 8.301 3.735 1.00 0.00 C ATOM 757 CG LEU A 54 8.354 9.671 4.341 1.00 0.00 C ATOM 758 CD1 LEU A 54 6.894 9.754 4.789 1.00 0.00 C ATOM 759 CD2 LEU A 54 9.322 10.000 5.479 1.00 0.00 C ATOM 0 H LEU A 54 8.663 9.784 1.598 1.00 0.00 H new ATOM 0 HA LEU A 54 10.677 8.234 3.119 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.738 7.879 3.345 1.00 0.00 H new ATOM 0 HB3 LEU A 54 9.004 7.641 4.534 1.00 0.00 H new ATOM 0 HG LEU A 54 8.497 10.426 3.568 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.700 10.738 5.216 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.241 9.595 3.931 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.700 8.988 5.540 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.079 10.979 5.892 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.235 9.245 6.260 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.343 10.011 5.097 1.00 0.00 H new ATOM 771 N ALA A 55 8.536 7.011 0.941 1.00 0.00 N ATOM 772 CA ALA A 55 8.315 5.904 0.026 1.00 0.00 C ATOM 773 C ALA A 55 9.632 5.551 -0.668 1.00 0.00 C ATOM 774 O ALA A 55 9.945 4.375 -0.850 1.00 0.00 O ATOM 775 CB ALA A 55 7.214 6.277 -0.969 1.00 0.00 C ATOM 0 H ALA A 55 7.804 7.722 0.935 1.00 0.00 H new ATOM 0 HA ALA A 55 7.980 5.019 0.567 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.048 5.447 -1.656 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.292 6.491 -0.428 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.517 7.159 -1.533 1.00 0.00 H new ATOM 781 N SER A 56 10.368 6.589 -1.034 1.00 0.00 N ATOM 782 CA SER A 56 11.644 6.403 -1.704 1.00 0.00 C ATOM 783 C SER A 56 12.698 5.931 -0.700 1.00 0.00 C ATOM 784 O SER A 56 13.382 4.935 -0.934 1.00 0.00 O ATOM 785 CB SER A 56 12.103 7.694 -2.386 1.00 0.00 C ATOM 786 OG SER A 56 13.411 7.571 -2.937 1.00 0.00 O ATOM 0 H SER A 56 10.105 7.562 -0.879 1.00 0.00 H new ATOM 0 HA SER A 56 11.517 5.642 -2.474 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.400 7.956 -3.177 1.00 0.00 H new ATOM 0 HB3 SER A 56 12.089 8.510 -1.664 1.00 0.00 H new ATOM 0 HG SER A 56 13.667 8.415 -3.364 1.00 0.00 H new ATOM 792 N GLN A 57 12.796 6.667 0.398 1.00 0.00 N ATOM 793 CA GLN A 57 13.754 6.336 1.438 1.00 0.00 C ATOM 794 C GLN A 57 13.612 4.867 1.843 1.00 0.00 C ATOM 795 O GLN A 57 14.600 4.210 2.165 1.00 0.00 O ATOM 796 CB GLN A 57 13.589 7.257 2.649 1.00 0.00 C ATOM 797 CG GLN A 57 14.559 8.438 2.576 1.00 0.00 C ATOM 798 CD GLN A 57 15.305 8.617 3.900 1.00 0.00 C ATOM 799 OE1 GLN A 57 14.812 9.213 4.844 1.00 0.00 O ATOM 800 NE2 GLN A 57 16.517 8.070 3.917 1.00 0.00 N ATOM 0 H GLN A 57 12.227 7.492 0.589 1.00 0.00 H new ATOM 0 HA GLN A 57 14.758 6.488 1.041 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.564 7.626 2.693 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.765 6.694 3.565 1.00 0.00 H new ATOM 0 HG2 GLN A 57 15.275 8.276 1.770 1.00 0.00 H new ATOM 0 HG3 GLN A 57 14.011 9.349 2.337 1.00 0.00 H new ATOM 0 HE21 GLN A 57 16.869 7.585 3.092 1.00 0.00 H new ATOM 0 HE22 GLN A 57 17.094 8.135 4.755 1.00 0.00 H new ATOM 809 N GLU A 58 12.374 4.395 1.813 1.00 0.00 N ATOM 810 CA GLU A 58 12.090 3.017 2.173 1.00 0.00 C ATOM 811 C GLU A 58 12.633 2.066 1.104 1.00 0.00 C ATOM 812 O GLU A 58 13.465 1.208 1.396 1.00 0.00 O ATOM 813 CB GLU A 58 10.590 2.803 2.385 1.00 0.00 C ATOM 814 CG GLU A 58 10.276 2.544 3.860 1.00 0.00 C ATOM 815 CD GLU A 58 10.902 1.230 4.331 1.00 0.00 C ATOM 816 OE1 GLU A 58 10.530 0.186 3.755 1.00 0.00 O ATOM 817 OE2 GLU A 58 11.739 1.300 5.257 1.00 0.00 O ATOM 0 H GLU A 58 11.557 4.943 1.545 1.00 0.00 H new ATOM 0 HA GLU A 58 12.592 2.798 3.116 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.042 3.680 2.041 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.251 1.959 1.784 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.653 3.368 4.466 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.196 2.509 4.005 1.00 0.00 H new ATOM 824 N GLY A 59 12.140 2.251 -0.112 1.00 0.00 N ATOM 825 CA GLY A 59 12.566 1.421 -1.226 1.00 0.00 C ATOM 826 C GLY A 59 11.553 0.307 -1.497 1.00 0.00 C ATOM 827 O GLY A 59 11.715 -0.467 -2.440 1.00 0.00 O ATOM 0 H GLY A 59 11.450 2.963 -0.350 1.00 0.00 H new ATOM 0 HA2 GLY A 59 12.684 2.036 -2.118 1.00 0.00 H new ATOM 0 HA3 GLY A 59 13.541 0.986 -1.008 1.00 0.00 H new ATOM 831 N THR A 60 10.532 0.261 -0.655 1.00 0.00 N ATOM 832 CA THR A 60 9.493 -0.746 -0.792 1.00 0.00 C ATOM 833 C THR A 60 8.451 -0.300 -1.819 1.00 0.00 C ATOM 834 O THR A 60 8.026 -1.090 -2.661 1.00 0.00 O ATOM 835 CB THR A 60 8.905 -1.010 0.596 1.00 0.00 C ATOM 836 OG1 THR A 60 9.716 -2.057 1.123 1.00 0.00 O ATOM 837 CG2 THR A 60 7.504 -1.622 0.531 1.00 0.00 C ATOM 0 H THR A 60 10.401 0.905 0.125 1.00 0.00 H new ATOM 0 HA THR A 60 9.898 -1.684 -1.173 1.00 0.00 H new ATOM 0 HB THR A 60 8.868 -0.077 1.158 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.405 -2.290 2.023 1.00 0.00 H new ATOM 0 HG21 THR A 60 7.133 -1.789 1.542 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.834 -0.941 0.006 1.00 0.00 H new ATOM 0 HG23 THR A 60 7.546 -2.572 -0.002 1.00 0.00 H new ATOM 845 N ILE A 61 8.068 0.964 -1.715 1.00 0.00 N ATOM 846 CA ILE A 61 7.083 1.525 -2.625 1.00 0.00 C ATOM 847 C ILE A 61 7.793 2.069 -3.866 1.00 0.00 C ATOM 848 O ILE A 61 8.187 3.234 -3.899 1.00 0.00 O ATOM 849 CB ILE A 61 6.219 2.563 -1.906 1.00 0.00 C ATOM 850 CG1 ILE A 61 5.732 2.030 -0.557 1.00 0.00 C ATOM 851 CG2 ILE A 61 5.060 3.022 -2.793 1.00 0.00 C ATOM 852 CD1 ILE A 61 5.202 3.166 0.322 1.00 0.00 C ATOM 0 H ILE A 61 8.422 1.616 -1.015 1.00 0.00 H new ATOM 0 HA ILE A 61 6.394 0.751 -2.965 1.00 0.00 H new ATOM 0 HB ILE A 61 6.835 3.439 -1.703 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.946 1.291 -0.716 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.549 1.521 -0.046 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.462 3.759 -2.258 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.455 3.468 -3.706 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.436 2.166 -3.049 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.862 2.760 1.275 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.997 3.890 0.499 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.369 3.657 -0.181 1.00 0.00 H new ATOM 864 N GLN A 62 7.934 1.200 -4.857 1.00 0.00 N ATOM 865 CA GLN A 62 8.589 1.579 -6.097 1.00 0.00 C ATOM 866 C GLN A 62 7.551 1.818 -7.194 1.00 0.00 C ATOM 867 O GLN A 62 6.650 1.004 -7.390 1.00 0.00 O ATOM 868 CB GLN A 62 9.606 0.520 -6.526 1.00 0.00 C ATOM 869 CG GLN A 62 10.743 0.407 -5.508 1.00 0.00 C ATOM 870 CD GLN A 62 11.571 -0.856 -5.748 1.00 0.00 C ATOM 871 OE1 GLN A 62 12.300 -0.977 -6.719 1.00 0.00 O ATOM 872 NE2 GLN A 62 11.419 -1.789 -4.812 1.00 0.00 N ATOM 0 H GLN A 62 7.606 0.235 -4.826 1.00 0.00 H new ATOM 0 HA GLN A 62 9.132 2.509 -5.929 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.110 -0.445 -6.631 1.00 0.00 H new ATOM 0 HB3 GLN A 62 10.013 0.777 -7.504 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.385 1.285 -5.576 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.332 0.390 -4.499 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.792 -1.624 -4.024 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.929 -2.670 -4.882 1.00 0.00 H new ATOM 881 N LYS A 63 7.711 2.939 -7.882 1.00 0.00 N ATOM 882 CA LYS A 63 6.798 3.296 -8.955 1.00 0.00 C ATOM 883 C LYS A 63 6.530 2.064 -9.821 1.00 0.00 C ATOM 884 O LYS A 63 7.421 1.587 -10.522 1.00 0.00 O ATOM 885 CB LYS A 63 7.336 4.494 -9.740 1.00 0.00 C ATOM 886 CG LYS A 63 7.056 4.340 -11.237 1.00 0.00 C ATOM 887 CD LYS A 63 7.527 5.571 -12.013 1.00 0.00 C ATOM 888 CE LYS A 63 8.912 5.339 -12.620 1.00 0.00 C ATOM 889 NZ LYS A 63 8.792 4.782 -13.986 1.00 0.00 N ATOM 0 H LYS A 63 8.459 3.612 -7.717 1.00 0.00 H new ATOM 0 HA LYS A 63 5.839 3.616 -8.548 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.875 5.411 -9.373 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.409 4.589 -9.575 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.562 3.452 -11.616 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.988 4.191 -11.397 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.813 5.802 -12.804 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.557 6.435 -11.349 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.464 6.278 -12.651 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.482 4.655 -11.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.741 4.630 -14.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.284 3.875 -13.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.267 5.448 -14.588 1.00 0.00 H new ATOM 903 N GLY A 64 5.297 1.583 -9.745 1.00 0.00 N ATOM 904 CA GLY A 64 4.900 0.416 -10.513 1.00 0.00 C ATOM 905 C GLY A 64 4.516 -0.743 -9.591 1.00 0.00 C ATOM 906 O GLY A 64 4.440 -1.890 -10.028 1.00 0.00 O ATOM 0 H GLY A 64 4.560 1.981 -9.163 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.057 0.669 -11.156 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.718 0.110 -11.166 1.00 0.00 H new ATOM 910 N ASN A 65 4.285 -0.403 -8.331 1.00 0.00 N ATOM 911 CA ASN A 65 3.910 -1.400 -7.344 1.00 0.00 C ATOM 912 C ASN A 65 2.439 -1.214 -6.969 1.00 0.00 C ATOM 913 O ASN A 65 1.969 -0.086 -6.825 1.00 0.00 O ATOM 914 CB ASN A 65 4.745 -1.254 -6.070 1.00 0.00 C ATOM 915 CG ASN A 65 6.205 -1.633 -6.324 1.00 0.00 C ATOM 916 OD1 ASN A 65 7.127 -0.893 -6.022 1.00 0.00 O ATOM 917 ND2 ASN A 65 6.364 -2.823 -6.896 1.00 0.00 N ATOM 0 H ASN A 65 4.351 0.549 -7.972 1.00 0.00 H new ATOM 0 HA ASN A 65 4.082 -2.385 -7.778 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.690 -0.226 -5.711 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.332 -1.889 -5.286 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.301 -3.166 -7.108 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.549 -3.393 -7.123 1.00 0.00 H new ATOM 924 N GLU A 66 1.751 -2.337 -6.821 1.00 0.00 N ATOM 925 CA GLU A 66 0.343 -2.311 -6.466 1.00 0.00 C ATOM 926 C GLU A 66 0.165 -1.792 -5.038 1.00 0.00 C ATOM 927 O GLU A 66 0.839 -2.253 -4.117 1.00 0.00 O ATOM 928 CB GLU A 66 -0.289 -3.695 -6.629 1.00 0.00 C ATOM 929 CG GLU A 66 -1.480 -3.868 -5.684 1.00 0.00 C ATOM 930 CD GLU A 66 -2.408 -2.654 -5.743 1.00 0.00 C ATOM 931 OE1 GLU A 66 -2.222 -1.841 -6.674 1.00 0.00 O ATOM 932 OE2 GLU A 66 -3.283 -2.565 -4.854 1.00 0.00 O ATOM 0 H GLU A 66 2.143 -3.271 -6.941 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.170 -1.631 -7.146 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.615 -3.831 -7.660 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.455 -4.465 -6.426 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.034 -4.767 -5.953 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.122 -4.007 -4.664 1.00 0.00 H new ATOM 939 N VAL A 67 -0.746 -0.840 -4.897 1.00 0.00 N ATOM 940 CA VAL A 67 -1.021 -0.253 -3.597 1.00 0.00 C ATOM 941 C VAL A 67 -2.287 -0.884 -3.015 1.00 0.00 C ATOM 942 O VAL A 67 -3.385 -0.359 -3.194 1.00 0.00 O ATOM 943 CB VAL A 67 -1.112 1.269 -3.718 1.00 0.00 C ATOM 944 CG1 VAL A 67 -1.454 1.907 -2.370 1.00 0.00 C ATOM 945 CG2 VAL A 67 0.182 1.853 -4.289 1.00 0.00 C ATOM 0 H VAL A 67 -1.303 -0.461 -5.662 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.206 -0.461 -2.904 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.919 1.502 -4.413 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.513 2.989 -2.484 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.414 1.527 -2.020 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.680 1.660 -1.644 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.090 2.936 -4.364 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.015 1.604 -3.631 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.364 1.435 -5.279 1.00 0.00 H new ATOM 955 N LEU A 68 -2.092 -2.001 -2.330 1.00 0.00 N ATOM 956 CA LEU A 68 -3.206 -2.709 -1.720 1.00 0.00 C ATOM 957 C LEU A 68 -4.141 -1.700 -1.052 1.00 0.00 C ATOM 958 O LEU A 68 -5.305 -1.581 -1.431 1.00 0.00 O ATOM 959 CB LEU A 68 -2.695 -3.796 -0.773 1.00 0.00 C ATOM 960 CG LEU A 68 -1.798 -4.865 -1.400 1.00 0.00 C ATOM 961 CD1 LEU A 68 -0.858 -5.473 -0.357 1.00 0.00 C ATOM 962 CD2 LEU A 68 -2.633 -5.933 -2.111 1.00 0.00 C ATOM 0 H LEU A 68 -1.180 -2.434 -2.184 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.789 -3.229 -2.480 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.143 -3.316 0.035 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.555 -4.291 -0.322 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.174 -4.387 -2.156 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.232 -6.230 -0.829 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.227 -4.690 0.064 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.445 -5.932 0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.971 -6.681 -2.548 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.298 -6.412 -1.393 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.225 -5.467 -2.899 1.00 0.00 H new ATOM 974 N SER A 69 -3.598 -0.999 -0.067 1.00 0.00 N ATOM 975 CA SER A 69 -4.369 -0.004 0.658 1.00 0.00 C ATOM 976 C SER A 69 -3.466 1.160 1.070 1.00 0.00 C ATOM 977 O SER A 69 -2.247 1.088 0.921 1.00 0.00 O ATOM 978 CB SER A 69 -5.040 -0.617 1.889 1.00 0.00 C ATOM 979 OG SER A 69 -4.088 -1.021 2.870 1.00 0.00 O ATOM 0 H SER A 69 -2.633 -1.101 0.246 1.00 0.00 H new ATOM 0 HA SER A 69 -5.153 0.369 -0.002 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.726 0.108 2.327 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.636 -1.478 1.586 1.00 0.00 H new ATOM 0 HG SER A 69 -4.556 -1.406 3.641 1.00 0.00 H new ATOM 985 N ILE A 70 -4.099 2.206 1.580 1.00 0.00 N ATOM 986 CA ILE A 70 -3.368 3.385 2.014 1.00 0.00 C ATOM 987 C ILE A 70 -4.020 3.947 3.279 1.00 0.00 C ATOM 988 O ILE A 70 -5.209 4.262 3.280 1.00 0.00 O ATOM 989 CB ILE A 70 -3.261 4.399 0.874 1.00 0.00 C ATOM 990 CG1 ILE A 70 -2.458 3.827 -0.296 1.00 0.00 C ATOM 991 CG2 ILE A 70 -2.683 5.725 1.373 1.00 0.00 C ATOM 992 CD1 ILE A 70 -2.273 4.873 -1.397 1.00 0.00 C ATOM 0 H ILE A 70 -5.110 2.262 1.703 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.342 3.123 2.273 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.265 4.604 0.504 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.484 3.490 0.057 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.970 2.954 -0.701 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.617 6.429 0.543 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.331 6.136 2.147 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.688 5.556 1.785 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.699 4.441 -2.217 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.249 5.190 -1.765 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.739 5.734 -0.995 1.00 0.00 H new ATOM 1004 N ASN A 71 -3.214 4.055 4.324 1.00 0.00 N ATOM 1005 CA ASN A 71 -3.698 4.573 5.592 1.00 0.00 C ATOM 1006 C ASN A 71 -4.603 3.532 6.252 1.00 0.00 C ATOM 1007 O ASN A 71 -5.210 3.798 7.289 1.00 0.00 O ATOM 1008 CB ASN A 71 -4.516 5.850 5.389 1.00 0.00 C ATOM 1009 CG ASN A 71 -3.953 7.001 6.224 1.00 0.00 C ATOM 1010 OD1 ASN A 71 -4.659 7.674 6.958 1.00 0.00 O ATOM 1011 ND2 ASN A 71 -2.645 7.190 6.073 1.00 0.00 N ATOM 0 H ASN A 71 -2.228 3.793 4.319 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.833 4.794 6.218 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.511 6.125 4.334 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.554 5.669 5.667 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.174 7.934 6.588 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.113 6.591 5.442 1.00 0.00 H new ATOM 1018 N GLY A 72 -4.666 2.366 5.625 1.00 0.00 N ATOM 1019 CA GLY A 72 -5.487 1.283 6.138 1.00 0.00 C ATOM 1020 C GLY A 72 -6.810 1.189 5.375 1.00 0.00 C ATOM 1021 O GLY A 72 -7.687 0.407 5.739 1.00 0.00 O ATOM 0 H GLY A 72 -4.161 2.148 4.766 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.946 0.340 6.053 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.685 1.443 7.198 1.00 0.00 H new ATOM 1025 N LYS A 73 -6.912 1.997 4.329 1.00 0.00 N ATOM 1026 CA LYS A 73 -8.113 2.014 3.512 1.00 0.00 C ATOM 1027 C LYS A 73 -7.883 1.169 2.257 1.00 0.00 C ATOM 1028 O LYS A 73 -7.089 1.537 1.393 1.00 0.00 O ATOM 1029 CB LYS A 73 -8.538 3.453 3.214 1.00 0.00 C ATOM 1030 CG LYS A 73 -9.378 3.524 1.937 1.00 0.00 C ATOM 1031 CD LYS A 73 -9.834 4.958 1.659 1.00 0.00 C ATOM 1032 CE LYS A 73 -11.044 5.324 2.520 1.00 0.00 C ATOM 1033 NZ LYS A 73 -12.295 4.860 1.879 1.00 0.00 N ATOM 0 H LYS A 73 -6.183 2.644 4.029 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.947 1.565 4.052 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.111 3.848 4.053 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.654 4.082 3.108 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.795 3.154 1.093 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.248 2.874 2.033 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.016 5.649 1.862 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.088 5.065 0.604 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.945 4.873 3.507 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.081 6.404 2.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.107 5.116 2.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.395 5.310 0.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.263 3.827 1.763 1.00 0.00 H new ATOM 1047 N SER A 74 -8.592 0.051 2.197 1.00 0.00 N ATOM 1048 CA SER A 74 -8.475 -0.849 1.063 1.00 0.00 C ATOM 1049 C SER A 74 -9.203 -0.263 -0.148 1.00 0.00 C ATOM 1050 O SER A 74 -10.177 0.472 0.004 1.00 0.00 O ATOM 1051 CB SER A 74 -9.034 -2.234 1.398 1.00 0.00 C ATOM 1052 OG SER A 74 -8.692 -2.641 2.720 1.00 0.00 O ATOM 0 H SER A 74 -9.249 -0.252 2.916 1.00 0.00 H new ATOM 0 HA SER A 74 -7.417 -0.961 0.824 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.119 -2.223 1.291 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.651 -2.962 0.684 1.00 0.00 H new ATOM 0 HG SER A 74 -9.068 -3.529 2.897 1.00 0.00 H new ATOM 1058 N LEU A 75 -8.701 -0.610 -1.325 1.00 0.00 N ATOM 1059 CA LEU A 75 -9.292 -0.127 -2.562 1.00 0.00 C ATOM 1060 C LEU A 75 -10.464 -1.030 -2.949 1.00 0.00 C ATOM 1061 O LEU A 75 -10.263 -2.128 -3.464 1.00 0.00 O ATOM 1062 CB LEU A 75 -8.225 -0.002 -3.652 1.00 0.00 C ATOM 1063 CG LEU A 75 -6.856 0.507 -3.196 1.00 0.00 C ATOM 1064 CD1 LEU A 75 -5.774 0.162 -4.221 1.00 0.00 C ATOM 1065 CD2 LEU A 75 -6.902 2.006 -2.892 1.00 0.00 C ATOM 0 H LEU A 75 -7.892 -1.219 -1.448 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.695 0.877 -2.426 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.091 -0.980 -4.115 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.601 0.668 -4.425 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.594 -0.001 -2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.811 0.535 -3.873 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.721 -0.920 -4.344 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.018 0.625 -5.177 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.916 2.342 -2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.196 2.550 -3.789 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.626 2.195 -2.100 1.00 0.00 H new ATOM 1077 N LYS A 76 -11.664 -0.533 -2.686 1.00 0.00 N ATOM 1078 CA LYS A 76 -12.869 -1.281 -3.001 1.00 0.00 C ATOM 1079 C LYS A 76 -13.287 -0.984 -4.442 1.00 0.00 C ATOM 1080 O LYS A 76 -14.389 -1.338 -4.858 1.00 0.00 O ATOM 1081 CB LYS A 76 -13.963 -0.992 -1.971 1.00 0.00 C ATOM 1082 CG LYS A 76 -14.207 0.513 -1.838 1.00 0.00 C ATOM 1083 CD LYS A 76 -13.391 1.100 -0.685 1.00 0.00 C ATOM 1084 CE LYS A 76 -14.306 1.665 0.403 1.00 0.00 C ATOM 1085 NZ LYS A 76 -14.450 0.699 1.514 1.00 0.00 N ATOM 0 H LYS A 76 -11.827 0.379 -2.258 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.679 -2.353 -2.939 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -14.887 -1.489 -2.267 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -13.675 -1.404 -1.004 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.939 1.012 -2.769 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -15.268 0.700 -1.670 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.748 0.329 -0.260 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.738 1.888 -1.061 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -13.897 2.602 0.780 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -15.285 1.891 -0.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -15.074 1.099 2.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -14.861 -0.186 1.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -13.516 0.503 1.927 1.00 0.00 H new ATOM 1099 N GLY A 77 -12.385 -0.336 -5.165 1.00 0.00 N ATOM 1100 CA GLY A 77 -12.646 0.013 -6.551 1.00 0.00 C ATOM 1101 C GLY A 77 -12.693 1.531 -6.734 1.00 0.00 C ATOM 1102 O GLY A 77 -13.355 2.030 -7.643 1.00 0.00 O ATOM 0 H GLY A 77 -11.472 -0.043 -4.816 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.870 -0.410 -7.189 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.593 -0.425 -6.868 1.00 0.00 H new ATOM 1106 N THR A 78 -11.981 2.223 -5.857 1.00 0.00 N ATOM 1107 CA THR A 78 -11.933 3.675 -5.911 1.00 0.00 C ATOM 1108 C THR A 78 -11.370 4.140 -7.256 1.00 0.00 C ATOM 1109 O THR A 78 -10.467 3.511 -7.806 1.00 0.00 O ATOM 1110 CB THR A 78 -11.122 4.166 -4.711 1.00 0.00 C ATOM 1111 OG1 THR A 78 -11.215 3.100 -3.770 1.00 0.00 O ATOM 1112 CG2 THR A 78 -11.785 5.348 -4.001 1.00 0.00 C ATOM 0 H THR A 78 -11.433 1.806 -5.105 1.00 0.00 H new ATOM 0 HA THR A 78 -12.932 4.107 -5.845 1.00 0.00 H new ATOM 0 HB THR A 78 -10.124 4.454 -5.041 1.00 0.00 H new ATOM 0 HG1 THR A 78 -10.378 2.590 -3.770 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.169 5.658 -3.157 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.889 6.179 -4.698 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.770 5.050 -3.641 1.00 0.00 H new ATOM 1120 N THR A 79 -11.927 5.237 -7.747 1.00 0.00 N ATOM 1121 CA THR A 79 -11.493 5.794 -9.016 1.00 0.00 C ATOM 1122 C THR A 79 -10.150 6.509 -8.853 1.00 0.00 C ATOM 1123 O THR A 79 -9.722 6.786 -7.733 1.00 0.00 O ATOM 1124 CB THR A 79 -12.606 6.703 -9.540 1.00 0.00 C ATOM 1125 OG1 THR A 79 -13.022 7.439 -8.393 1.00 0.00 O ATOM 1126 CG2 THR A 79 -13.854 5.922 -9.954 1.00 0.00 C ATOM 0 H THR A 79 -12.676 5.755 -7.288 1.00 0.00 H new ATOM 0 HA THR A 79 -11.321 5.010 -9.753 1.00 0.00 H new ATOM 0 HB THR A 79 -12.237 7.274 -10.392 1.00 0.00 H new ATOM 0 HG1 THR A 79 -13.307 8.336 -8.666 1.00 0.00 H new ATOM 0 HG21 THR A 79 -14.613 6.615 -10.318 1.00 0.00 H new ATOM 0 HG22 THR A 79 -13.597 5.217 -10.745 1.00 0.00 H new ATOM 0 HG23 THR A 79 -14.244 5.376 -9.095 1.00 0.00 H new ATOM 1134 N HIS A 80 -9.523 6.788 -9.986 1.00 0.00 N ATOM 1135 CA HIS A 80 -8.238 7.466 -9.983 1.00 0.00 C ATOM 1136 C HIS A 80 -8.317 8.712 -9.099 1.00 0.00 C ATOM 1137 O HIS A 80 -7.424 8.960 -8.289 1.00 0.00 O ATOM 1138 CB HIS A 80 -7.785 7.780 -11.411 1.00 0.00 C ATOM 1139 CG HIS A 80 -6.382 8.329 -11.503 1.00 0.00 C ATOM 1140 ND1 HIS A 80 -5.256 7.528 -11.420 1.00 0.00 N ATOM 1141 CD2 HIS A 80 -5.934 9.606 -11.674 1.00 0.00 C ATOM 1142 CE1 HIS A 80 -4.185 8.299 -11.536 1.00 0.00 C ATOM 1143 NE2 HIS A 80 -4.607 9.587 -11.692 1.00 0.00 N ATOM 0 H HIS A 80 -9.881 6.557 -10.913 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.478 6.810 -9.559 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -7.849 6.871 -12.010 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -8.475 8.500 -11.850 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -5.252 6.516 -11.291 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -6.554 10.484 -11.777 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.158 7.966 -11.511 1.00 0.00 H new ATOM 1151 N HIS A 81 -9.393 9.462 -9.283 1.00 0.00 N ATOM 1152 CA HIS A 81 -9.600 10.676 -8.512 1.00 0.00 C ATOM 1153 C HIS A 81 -9.889 10.315 -7.054 1.00 0.00 C ATOM 1154 O HIS A 81 -9.135 10.688 -6.157 1.00 0.00 O ATOM 1155 CB HIS A 81 -10.699 11.537 -9.139 1.00 0.00 C ATOM 1156 CG HIS A 81 -10.777 12.937 -8.578 1.00 0.00 C ATOM 1157 ND1 HIS A 81 -11.156 14.029 -9.338 1.00 0.00 N ATOM 1158 CD2 HIS A 81 -10.522 13.410 -7.324 1.00 0.00 C ATOM 1159 CE1 HIS A 81 -11.127 15.106 -8.567 1.00 0.00 C ATOM 1160 NE2 HIS A 81 -10.733 14.720 -7.319 1.00 0.00 N ATOM 0 H HIS A 81 -10.131 9.253 -9.955 1.00 0.00 H new ATOM 0 HA HIS A 81 -8.693 11.280 -8.527 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -10.531 11.596 -10.214 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -11.660 11.044 -8.993 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -10.203 12.819 -6.479 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -11.372 16.112 -8.873 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -10.619 15.337 -6.515 1.00 0.00 H new ATOM 1168 N ASP A 82 -10.984 9.593 -6.863 1.00 0.00 N ATOM 1169 CA ASP A 82 -11.382 9.177 -5.529 1.00 0.00 C ATOM 1170 C ASP A 82 -10.163 8.628 -4.785 1.00 0.00 C ATOM 1171 O ASP A 82 -10.112 8.666 -3.556 1.00 0.00 O ATOM 1172 CB ASP A 82 -12.436 8.070 -5.589 1.00 0.00 C ATOM 1173 CG ASP A 82 -13.856 8.545 -5.904 1.00 0.00 C ATOM 1174 OD1 ASP A 82 -13.973 9.474 -6.733 1.00 0.00 O ATOM 1175 OD2 ASP A 82 -14.793 7.970 -5.309 1.00 0.00 O ATOM 0 H ASP A 82 -11.607 9.286 -7.610 1.00 0.00 H new ATOM 0 HA ASP A 82 -11.798 10.044 -5.016 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -12.136 7.344 -6.345 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -12.448 7.548 -4.632 1.00 0.00 H new ATOM 1180 N ALA A 83 -9.210 8.131 -5.560 1.00 0.00 N ATOM 1181 CA ALA A 83 -7.995 7.576 -4.990 1.00 0.00 C ATOM 1182 C ALA A 83 -7.016 8.711 -4.682 1.00 0.00 C ATOM 1183 O ALA A 83 -6.457 8.773 -3.588 1.00 0.00 O ATOM 1184 CB ALA A 83 -7.405 6.543 -5.952 1.00 0.00 C ATOM 0 H ALA A 83 -9.255 8.101 -6.579 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.211 7.063 -4.053 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.493 6.127 -5.524 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.127 5.743 -6.115 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.173 7.022 -6.903 1.00 0.00 H new ATOM 1190 N LEU A 84 -6.840 9.581 -5.665 1.00 0.00 N ATOM 1191 CA LEU A 84 -5.939 10.710 -5.513 1.00 0.00 C ATOM 1192 C LEU A 84 -6.266 11.446 -4.211 1.00 0.00 C ATOM 1193 O LEU A 84 -5.380 11.688 -3.392 1.00 0.00 O ATOM 1194 CB LEU A 84 -5.986 11.605 -6.753 1.00 0.00 C ATOM 1195 CG LEU A 84 -5.409 11.003 -8.036 1.00 0.00 C ATOM 1196 CD1 LEU A 84 -6.235 11.418 -9.255 1.00 0.00 C ATOM 1197 CD2 LEU A 84 -3.931 11.365 -8.195 1.00 0.00 C ATOM 0 H LEU A 84 -7.306 9.527 -6.570 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.908 10.366 -5.436 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.024 11.880 -6.939 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.447 12.526 -6.533 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.468 9.917 -7.961 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.804 10.977 -10.154 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.261 11.069 -9.136 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.230 12.504 -9.345 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.545 10.925 -9.115 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.825 12.449 -8.239 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.368 10.980 -7.345 1.00 0.00 H new ATOM 1209 N ALA A 85 -7.539 11.780 -4.061 1.00 0.00 N ATOM 1210 CA ALA A 85 -7.993 12.483 -2.874 1.00 0.00 C ATOM 1211 C ALA A 85 -7.675 11.642 -1.636 1.00 0.00 C ATOM 1212 O ALA A 85 -7.058 12.131 -0.690 1.00 0.00 O ATOM 1213 CB ALA A 85 -9.487 12.789 -3.002 1.00 0.00 C ATOM 0 H ALA A 85 -8.270 11.577 -4.742 1.00 0.00 H new ATOM 0 HA ALA A 85 -7.473 13.435 -2.769 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -9.828 13.317 -2.111 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -9.657 13.412 -3.880 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -10.042 11.857 -3.106 1.00 0.00 H new ATOM 1219 N ILE A 86 -8.110 10.391 -1.681 1.00 0.00 N ATOM 1220 CA ILE A 86 -7.879 9.477 -0.575 1.00 0.00 C ATOM 1221 C ILE A 86 -6.406 9.540 -0.167 1.00 0.00 C ATOM 1222 O ILE A 86 -6.082 9.454 1.016 1.00 0.00 O ATOM 1223 CB ILE A 86 -8.359 8.070 -0.934 1.00 0.00 C ATOM 1224 CG1 ILE A 86 -9.735 7.788 -0.325 1.00 0.00 C ATOM 1225 CG2 ILE A 86 -7.326 7.018 -0.527 1.00 0.00 C ATOM 1226 CD1 ILE A 86 -10.733 7.359 -1.402 1.00 0.00 C ATOM 0 H ILE A 86 -8.621 9.989 -2.467 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.464 9.775 0.295 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.468 8.012 -2.017 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -9.650 7.006 0.429 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.102 8.680 0.182 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.692 6.026 -0.793 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.387 7.210 -1.046 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -7.162 7.067 0.549 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.702 7.165 -0.943 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.834 8.153 -2.141 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -10.374 6.453 -1.890 1.00 0.00 H new ATOM 1238 N LEU A 87 -5.553 9.688 -1.170 1.00 0.00 N ATOM 1239 CA LEU A 87 -4.122 9.762 -0.930 1.00 0.00 C ATOM 1240 C LEU A 87 -3.791 11.094 -0.254 1.00 0.00 C ATOM 1241 O LEU A 87 -2.872 11.170 0.560 1.00 0.00 O ATOM 1242 CB LEU A 87 -3.348 9.523 -2.228 1.00 0.00 C ATOM 1243 CG LEU A 87 -1.892 9.991 -2.237 1.00 0.00 C ATOM 1244 CD1 LEU A 87 -1.804 11.507 -2.424 1.00 0.00 C ATOM 1245 CD2 LEU A 87 -1.159 9.526 -0.977 1.00 0.00 C ATOM 0 H LEU A 87 -5.825 9.759 -2.150 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.809 8.971 -0.248 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.367 8.456 -2.448 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.875 10.025 -3.040 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.391 9.532 -3.089 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.758 11.813 -2.427 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.266 11.784 -3.372 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.326 12.005 -1.607 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.126 9.872 -1.009 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.653 9.937 -0.096 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.176 8.437 -0.927 1.00 0.00 H new ATOM 1257 N ARG A 88 -4.559 12.111 -0.615 1.00 0.00 N ATOM 1258 CA ARG A 88 -4.359 13.436 -0.053 1.00 0.00 C ATOM 1259 C ARG A 88 -4.765 13.454 1.422 1.00 0.00 C ATOM 1260 O ARG A 88 -4.447 14.397 2.146 1.00 0.00 O ATOM 1261 CB ARG A 88 -5.175 14.485 -0.812 1.00 0.00 C ATOM 1262 CG ARG A 88 -4.556 14.776 -2.180 1.00 0.00 C ATOM 1263 CD ARG A 88 -5.411 15.771 -2.968 1.00 0.00 C ATOM 1264 NE ARG A 88 -4.589 16.436 -4.003 1.00 0.00 N ATOM 1265 CZ ARG A 88 -5.094 17.138 -5.027 1.00 0.00 C ATOM 1266 NH1 ARG A 88 -6.420 17.269 -5.160 1.00 0.00 N ATOM 1267 NH2 ARG A 88 -4.271 17.707 -5.919 1.00 0.00 N ATOM 0 H ARG A 88 -5.321 12.044 -1.290 1.00 0.00 H new ATOM 0 HA ARG A 88 -3.300 13.679 -0.145 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -6.198 14.132 -0.940 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.225 15.404 -0.228 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.551 15.177 -2.050 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -4.459 13.848 -2.744 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -6.249 15.253 -3.435 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -5.832 16.516 -2.293 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.575 16.355 -3.933 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -7.046 16.835 -4.482 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -6.804 17.803 -5.939 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -3.261 17.606 -5.818 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -4.655 18.241 -6.699 1.00 0.00 H new ATOM 1281 N GLN A 89 -5.461 12.401 1.824 1.00 0.00 N ATOM 1282 CA GLN A 89 -5.913 12.283 3.200 1.00 0.00 C ATOM 1283 C GLN A 89 -4.898 11.490 4.026 1.00 0.00 C ATOM 1284 O GLN A 89 -4.745 11.729 5.223 1.00 0.00 O ATOM 1285 CB GLN A 89 -7.299 11.639 3.269 1.00 0.00 C ATOM 1286 CG GLN A 89 -8.353 12.538 2.619 1.00 0.00 C ATOM 1287 CD GLN A 89 -9.697 12.416 3.342 1.00 0.00 C ATOM 1288 OE1 GLN A 89 -9.770 12.149 4.530 1.00 0.00 O ATOM 1289 NE2 GLN A 89 -10.752 12.627 2.560 1.00 0.00 N ATOM 0 H GLN A 89 -5.723 11.621 1.221 1.00 0.00 H new ATOM 0 HA GLN A 89 -5.993 13.285 3.623 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.280 10.672 2.766 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.566 11.452 4.309 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -8.016 13.574 2.641 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.473 12.265 1.571 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.619 12.847 1.573 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.694 12.569 2.948 1.00 0.00 H new ATOM 1298 N ALA A 90 -4.231 10.563 3.355 1.00 0.00 N ATOM 1299 CA ALA A 90 -3.236 9.733 4.012 1.00 0.00 C ATOM 1300 C ALA A 90 -2.012 10.586 4.354 1.00 0.00 C ATOM 1301 O ALA A 90 -1.105 10.127 5.045 1.00 0.00 O ATOM 1302 CB ALA A 90 -2.886 8.546 3.112 1.00 0.00 C ATOM 0 H ALA A 90 -4.360 10.368 2.362 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.629 9.330 4.946 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.139 7.923 3.605 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.783 7.956 2.923 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.486 8.912 2.166 1.00 0.00 H new ATOM 1308 N ARG A 91 -2.028 11.813 3.853 1.00 0.00 N ATOM 1309 CA ARG A 91 -0.931 12.734 4.097 1.00 0.00 C ATOM 1310 C ARG A 91 -1.282 13.686 5.242 1.00 0.00 C ATOM 1311 O ARG A 91 -0.443 14.474 5.679 1.00 0.00 O ATOM 1312 CB ARG A 91 -0.609 13.552 2.844 1.00 0.00 C ATOM 1313 CG ARG A 91 -1.480 14.808 2.770 1.00 0.00 C ATOM 1314 CD ARG A 91 -1.600 15.308 1.329 1.00 0.00 C ATOM 1315 NE ARG A 91 -1.279 16.751 1.266 1.00 0.00 N ATOM 1316 CZ ARG A 91 -0.044 17.252 1.404 1.00 0.00 C ATOM 1317 NH1 ARG A 91 0.993 16.431 1.616 1.00 0.00 N ATOM 1318 NH2 ARG A 91 0.154 18.576 1.332 1.00 0.00 N ATOM 0 H ARG A 91 -2.783 12.190 3.280 1.00 0.00 H new ATOM 0 HA ARG A 91 -0.056 12.143 4.366 1.00 0.00 H new ATOM 0 HB2 ARG A 91 0.444 13.835 2.851 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -0.769 12.941 1.956 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -2.472 14.591 3.167 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -1.050 15.590 3.396 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -0.923 14.748 0.683 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -2.610 15.135 0.958 1.00 0.00 H new ATOM 0 HE ARG A 91 -2.046 17.405 1.108 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.843 15.424 1.672 1.00 0.00 H new ATOM 0 HH12 ARG A 91 1.933 16.813 1.721 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -0.635 19.202 1.172 1.00 0.00 H new ATOM 0 HH22 ARG A 91 1.094 18.958 1.437 1.00 0.00 H new ATOM 1332 N GLU A 92 -2.522 13.583 5.696 1.00 0.00 N ATOM 1333 CA GLU A 92 -2.994 14.425 6.782 1.00 0.00 C ATOM 1334 C GLU A 92 -2.299 14.043 8.091 1.00 0.00 C ATOM 1335 O GLU A 92 -1.883 14.913 8.854 1.00 0.00 O ATOM 1336 CB GLU A 92 -4.515 14.337 6.923 1.00 0.00 C ATOM 1337 CG GLU A 92 -5.203 14.534 5.571 1.00 0.00 C ATOM 1338 CD GLU A 92 -5.644 15.988 5.388 1.00 0.00 C ATOM 1339 OE1 GLU A 92 -6.372 16.477 6.279 1.00 0.00 O ATOM 1340 OE2 GLU A 92 -5.244 16.577 4.360 1.00 0.00 O ATOM 0 H GLU A 92 -3.215 12.929 5.332 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.743 15.460 6.549 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.790 13.367 7.337 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.863 15.094 7.626 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.522 14.253 4.768 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -6.069 13.876 5.500 1.00 0.00 H new ATOM 1347 N PRO A 93 -2.192 12.705 8.315 1.00 0.00 N ATOM 1348 CA PRO A 93 -1.554 12.197 9.518 1.00 0.00 C ATOM 1349 C PRO A 93 -0.033 12.340 9.435 1.00 0.00 C ATOM 1350 O PRO A 93 0.502 12.721 8.395 1.00 0.00 O ATOM 1351 CB PRO A 93 -2.010 10.751 9.624 1.00 0.00 C ATOM 1352 CG PRO A 93 -2.505 10.368 8.239 1.00 0.00 C ATOM 1353 CD PRO A 93 -2.673 11.646 7.433 1.00 0.00 C ATOM 0 HA PRO A 93 -1.834 12.756 10.411 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.190 10.105 9.938 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.802 10.644 10.365 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.795 9.700 7.751 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.452 9.832 8.307 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -2.098 11.609 6.508 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.715 11.805 7.155 1.00 0.00 H new ATOM 1361 N ARG A 94 0.620 12.027 10.544 1.00 0.00 N ATOM 1362 CA ARG A 94 2.069 12.116 10.610 1.00 0.00 C ATOM 1363 C ARG A 94 2.701 10.777 10.226 1.00 0.00 C ATOM 1364 O ARG A 94 3.913 10.603 10.340 1.00 0.00 O ATOM 1365 CB ARG A 94 2.534 12.508 12.014 1.00 0.00 C ATOM 1366 CG ARG A 94 1.629 13.588 12.610 1.00 0.00 C ATOM 1367 CD ARG A 94 2.456 14.698 13.261 1.00 0.00 C ATOM 1368 NE ARG A 94 3.389 14.118 14.254 1.00 0.00 N ATOM 1369 CZ ARG A 94 3.020 13.682 15.466 1.00 0.00 C ATOM 1370 NH1 ARG A 94 1.736 13.758 15.843 1.00 0.00 N ATOM 1371 NH2 ARG A 94 3.934 13.171 16.301 1.00 0.00 N ATOM 0 H ARG A 94 0.172 11.711 11.405 1.00 0.00 H new ATOM 0 HA ARG A 94 2.386 12.886 9.907 1.00 0.00 H new ATOM 0 HB2 ARG A 94 2.532 11.630 12.660 1.00 0.00 H new ATOM 0 HB3 ARG A 94 3.561 12.871 11.973 1.00 0.00 H new ATOM 0 HG2 ARG A 94 0.998 14.011 11.828 1.00 0.00 H new ATOM 0 HG3 ARG A 94 0.964 13.143 13.350 1.00 0.00 H new ATOM 0 HD2 ARG A 94 3.015 15.241 12.499 1.00 0.00 H new ATOM 0 HD3 ARG A 94 1.796 15.417 13.746 1.00 0.00 H new ATOM 0 HE ARG A 94 4.374 14.046 13.999 1.00 0.00 H new ATOM 0 HH11 ARG A 94 1.040 14.148 15.207 1.00 0.00 H new ATOM 0 HH12 ARG A 94 1.455 13.426 16.766 1.00 0.00 H new ATOM 0 HH21 ARG A 94 4.911 13.114 16.014 1.00 0.00 H new ATOM 0 HH22 ARG A 94 3.653 12.839 17.224 1.00 0.00 H new ATOM 1385 N GLN A 95 1.851 9.865 9.778 1.00 0.00 N ATOM 1386 CA GLN A 95 2.311 8.546 9.377 1.00 0.00 C ATOM 1387 C GLN A 95 1.507 8.047 8.174 1.00 0.00 C ATOM 1388 O GLN A 95 0.312 8.317 8.067 1.00 0.00 O ATOM 1389 CB GLN A 95 2.226 7.558 10.541 1.00 0.00 C ATOM 1390 CG GLN A 95 3.088 6.322 10.275 1.00 0.00 C ATOM 1391 CD GLN A 95 2.580 5.118 11.071 1.00 0.00 C ATOM 1392 OE1 GLN A 95 3.225 4.626 11.982 1.00 0.00 O ATOM 1393 NE2 GLN A 95 1.391 4.671 10.676 1.00 0.00 N ATOM 0 H GLN A 95 0.846 10.013 9.684 1.00 0.00 H new ATOM 0 HA GLN A 95 3.358 8.621 9.084 1.00 0.00 H new ATOM 0 HB2 GLN A 95 2.554 8.044 11.460 1.00 0.00 H new ATOM 0 HB3 GLN A 95 1.189 7.257 10.692 1.00 0.00 H new ATOM 0 HG2 GLN A 95 3.078 6.089 9.210 1.00 0.00 H new ATOM 0 HG3 GLN A 95 4.123 6.531 10.545 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.904 5.129 9.906 1.00 0.00 H new ATOM 0 HE22 GLN A 95 0.966 3.870 11.143 1.00 0.00 H new ATOM 1402 N ALA A 96 2.195 7.328 7.300 1.00 0.00 N ATOM 1403 CA ALA A 96 1.560 6.788 6.110 1.00 0.00 C ATOM 1404 C ALA A 96 1.631 5.260 6.147 1.00 0.00 C ATOM 1405 O ALA A 96 2.695 4.690 6.385 1.00 0.00 O ATOM 1406 CB ALA A 96 2.230 7.372 4.864 1.00 0.00 C ATOM 0 H ALA A 96 3.186 7.107 7.392 1.00 0.00 H new ATOM 0 HA ALA A 96 0.507 7.068 6.077 1.00 0.00 H new ATOM 0 HB1 ALA A 96 1.754 6.967 3.971 1.00 0.00 H new ATOM 0 HB2 ALA A 96 2.126 8.457 4.870 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.288 7.108 4.862 1.00 0.00 H new ATOM 1412 N VAL A 97 0.484 4.641 5.909 1.00 0.00 N ATOM 1413 CA VAL A 97 0.402 3.190 5.913 1.00 0.00 C ATOM 1414 C VAL A 97 0.099 2.697 4.496 1.00 0.00 C ATOM 1415 O VAL A 97 -0.968 2.977 3.953 1.00 0.00 O ATOM 1416 CB VAL A 97 -0.631 2.727 6.941 1.00 0.00 C ATOM 1417 CG1 VAL A 97 -1.232 1.376 6.545 1.00 0.00 C ATOM 1418 CG2 VAL A 97 -0.021 2.665 8.343 1.00 0.00 C ATOM 0 H VAL A 97 -0.396 5.118 5.712 1.00 0.00 H new ATOM 0 HA VAL A 97 1.355 2.754 6.212 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.437 3.461 6.958 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.963 1.070 7.293 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -1.721 1.466 5.575 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.440 0.629 6.485 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.777 2.333 9.054 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.813 1.963 8.346 1.00 0.00 H new ATOM 0 HG23 VAL A 97 0.336 3.654 8.628 1.00 0.00 H new ATOM 1428 N ILE A 98 1.057 1.971 3.939 1.00 0.00 N ATOM 1429 CA ILE A 98 0.906 1.437 2.596 1.00 0.00 C ATOM 1430 C ILE A 98 1.249 -0.054 2.604 1.00 0.00 C ATOM 1431 O ILE A 98 2.293 -0.452 3.117 1.00 0.00 O ATOM 1432 CB ILE A 98 1.731 2.253 1.599 1.00 0.00 C ATOM 1433 CG1 ILE A 98 1.547 3.753 1.833 1.00 0.00 C ATOM 1434 CG2 ILE A 98 1.403 1.852 0.159 1.00 0.00 C ATOM 1435 CD1 ILE A 98 2.701 4.326 2.657 1.00 0.00 C ATOM 0 H ILE A 98 1.941 1.740 4.393 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.129 1.525 2.265 1.00 0.00 H new ATOM 0 HB ILE A 98 2.785 2.029 1.763 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.488 4.269 0.875 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.604 3.931 2.349 1.00 0.00 H new ATOM 0 HG21 ILE A 98 2.003 2.447 -0.530 1.00 0.00 H new ATOM 0 HG22 ILE A 98 1.627 0.795 0.016 1.00 0.00 H new ATOM 0 HG23 ILE A 98 0.345 2.028 -0.036 1.00 0.00 H new ATOM 0 HD11 ILE A 98 2.545 5.394 2.808 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.742 3.825 3.624 1.00 0.00 H new ATOM 0 HD13 ILE A 98 3.640 4.168 2.127 1.00 0.00 H new ATOM 1447 N VAL A 99 0.349 -0.838 2.029 1.00 0.00 N ATOM 1448 CA VAL A 99 0.543 -2.277 1.963 1.00 0.00 C ATOM 1449 C VAL A 99 0.764 -2.691 0.506 1.00 0.00 C ATOM 1450 O VAL A 99 -0.128 -2.544 -0.327 1.00 0.00 O ATOM 1451 CB VAL A 99 -0.639 -2.995 2.616 1.00 0.00 C ATOM 1452 CG1 VAL A 99 -0.318 -4.471 2.860 1.00 0.00 C ATOM 1453 CG2 VAL A 99 -1.052 -2.302 3.915 1.00 0.00 C ATOM 0 H VAL A 99 -0.516 -0.504 1.605 1.00 0.00 H new ATOM 0 HA VAL A 99 1.432 -2.569 2.522 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.482 -2.945 1.927 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.175 -4.958 3.325 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.096 -4.957 1.910 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.546 -4.551 3.519 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.894 -2.833 4.359 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.214 -2.305 4.612 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.343 -1.273 3.702 1.00 0.00 H new ATOM 1463 N THR A 100 1.959 -3.201 0.244 1.00 0.00 N ATOM 1464 CA THR A 100 2.309 -3.638 -1.097 1.00 0.00 C ATOM 1465 C THR A 100 3.002 -5.001 -1.050 1.00 0.00 C ATOM 1466 O THR A 100 3.465 -5.430 0.006 1.00 0.00 O ATOM 1467 CB THR A 100 3.162 -2.544 -1.742 1.00 0.00 C ATOM 1468 OG1 THR A 100 4.307 -2.453 -0.899 1.00 0.00 O ATOM 1469 CG2 THR A 100 2.515 -1.161 -1.643 1.00 0.00 C ATOM 0 H THR A 100 2.697 -3.321 0.938 1.00 0.00 H new ATOM 0 HA THR A 100 1.420 -3.782 -1.711 1.00 0.00 H new ATOM 0 HB THR A 100 3.334 -2.790 -2.790 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.915 -1.767 -1.246 1.00 0.00 H new ATOM 0 HG21 THR A 100 3.162 -0.422 -2.116 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.549 -1.174 -2.148 1.00 0.00 H new ATOM 0 HG23 THR A 100 2.373 -0.900 -0.594 1.00 0.00 H new ATOM 1477 N ARG A 101 3.051 -5.644 -2.207 1.00 0.00 N ATOM 1478 CA ARG A 101 3.679 -6.950 -2.312 1.00 0.00 C ATOM 1479 C ARG A 101 4.630 -6.987 -3.510 1.00 0.00 C ATOM 1480 O ARG A 101 4.364 -6.365 -4.538 1.00 0.00 O ATOM 1481 CB ARG A 101 2.632 -8.054 -2.466 1.00 0.00 C ATOM 1482 CG ARG A 101 1.903 -7.935 -3.806 1.00 0.00 C ATOM 1483 CD ARG A 101 0.401 -7.730 -3.597 1.00 0.00 C ATOM 1484 NE ARG A 101 -0.299 -7.751 -4.900 1.00 0.00 N ATOM 1485 CZ ARG A 101 -0.446 -8.847 -5.657 1.00 0.00 C ATOM 1486 NH1 ARG A 101 0.058 -10.018 -5.245 1.00 0.00 N ATOM 1487 NH2 ARG A 101 -1.097 -8.771 -6.826 1.00 0.00 N ATOM 0 H ARG A 101 2.666 -5.285 -3.080 1.00 0.00 H new ATOM 0 HA ARG A 101 4.240 -7.123 -1.393 1.00 0.00 H new ATOM 0 HB2 ARG A 101 3.114 -9.029 -2.395 1.00 0.00 H new ATOM 0 HB3 ARG A 101 1.912 -7.994 -1.650 1.00 0.00 H new ATOM 0 HG2 ARG A 101 2.312 -7.099 -4.374 1.00 0.00 H new ATOM 0 HG3 ARG A 101 2.072 -8.835 -4.397 1.00 0.00 H new ATOM 0 HD2 ARG A 101 0.005 -8.513 -2.950 1.00 0.00 H new ATOM 0 HD3 ARG A 101 0.222 -6.780 -3.094 1.00 0.00 H new ATOM 0 HE ARG A 101 -0.695 -6.876 -5.244 1.00 0.00 H new ATOM 0 HH11 ARG A 101 0.553 -10.075 -4.355 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -0.054 -10.852 -5.821 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -1.480 -7.879 -7.139 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -1.209 -9.605 -7.402 1.00 0.00 H new ATOM 1501 N LYS A 102 5.719 -7.722 -3.339 1.00 0.00 N ATOM 1502 CA LYS A 102 6.710 -7.848 -4.393 1.00 0.00 C ATOM 1503 C LYS A 102 6.084 -8.560 -5.594 1.00 0.00 C ATOM 1504 O LYS A 102 5.859 -9.769 -5.556 1.00 0.00 O ATOM 1505 CB LYS A 102 7.972 -8.532 -3.863 1.00 0.00 C ATOM 1506 CG LYS A 102 9.014 -7.499 -3.428 1.00 0.00 C ATOM 1507 CD LYS A 102 8.427 -6.526 -2.403 1.00 0.00 C ATOM 1508 CE LYS A 102 9.205 -5.210 -2.387 1.00 0.00 C ATOM 1509 NZ LYS A 102 9.326 -4.695 -1.005 1.00 0.00 N ATOM 0 H LYS A 102 5.937 -8.237 -2.486 1.00 0.00 H new ATOM 0 HA LYS A 102 7.028 -6.863 -4.736 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.716 -9.173 -3.019 1.00 0.00 H new ATOM 0 HB3 LYS A 102 8.393 -9.175 -4.636 1.00 0.00 H new ATOM 0 HG2 LYS A 102 9.878 -8.007 -2.999 1.00 0.00 H new ATOM 0 HG3 LYS A 102 9.369 -6.946 -4.298 1.00 0.00 H new ATOM 0 HD2 LYS A 102 7.381 -6.331 -2.639 1.00 0.00 H new ATOM 0 HD3 LYS A 102 8.451 -6.979 -1.412 1.00 0.00 H new ATOM 0 HE2 LYS A 102 10.197 -5.362 -2.813 1.00 0.00 H new ATOM 0 HE3 LYS A 102 8.699 -4.474 -3.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 9.914 -3.837 -1.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 8.381 -4.467 -0.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 9.768 -5.418 -0.402 1.00 0.00 H new ATOM 1523 N LEU A 103 5.819 -7.780 -6.632 1.00 0.00 N ATOM 1524 CA LEU A 103 5.223 -8.320 -7.841 1.00 0.00 C ATOM 1525 C LEU A 103 6.328 -8.858 -8.753 1.00 0.00 C ATOM 1526 O LEU A 103 7.512 -8.684 -8.469 1.00 0.00 O ATOM 1527 CB LEU A 103 4.328 -7.275 -8.511 1.00 0.00 C ATOM 1528 CG LEU A 103 3.162 -6.753 -7.670 1.00 0.00 C ATOM 1529 CD1 LEU A 103 2.544 -5.505 -8.304 1.00 0.00 C ATOM 1530 CD2 LEU A 103 2.122 -7.850 -7.433 1.00 0.00 C ATOM 0 H LEU A 103 6.006 -6.778 -6.660 1.00 0.00 H new ATOM 0 HA LEU A 103 4.570 -9.159 -7.601 1.00 0.00 H new ATOM 0 HB2 LEU A 103 4.948 -6.427 -8.802 1.00 0.00 H new ATOM 0 HB3 LEU A 103 3.925 -7.705 -9.428 1.00 0.00 H new ATOM 0 HG LEU A 103 3.549 -6.460 -6.694 1.00 0.00 H new ATOM 0 HD11 LEU A 103 1.717 -5.154 -7.686 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.299 -4.722 -8.378 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.175 -5.748 -9.300 1.00 0.00 H new ATOM 0 HD21 LEU A 103 1.304 -7.452 -6.833 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.734 -8.197 -8.391 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.586 -8.684 -6.907 1.00 0.00 H new ATOM 1542 N THR A 104 5.902 -9.502 -9.830 1.00 0.00 N ATOM 1543 CA THR A 104 6.840 -10.067 -10.784 1.00 0.00 C ATOM 1544 C THR A 104 8.030 -9.126 -10.983 1.00 0.00 C ATOM 1545 O THR A 104 7.936 -7.932 -10.703 1.00 0.00 O ATOM 1546 CB THR A 104 6.078 -10.363 -12.077 1.00 0.00 C ATOM 1547 OG1 THR A 104 5.521 -9.106 -12.448 1.00 0.00 O ATOM 1548 CG2 THR A 104 4.858 -11.258 -11.846 1.00 0.00 C ATOM 0 H THR A 104 4.919 -9.645 -10.063 1.00 0.00 H new ATOM 0 HA THR A 104 7.263 -11.002 -10.417 1.00 0.00 H new ATOM 0 HB THR A 104 6.748 -10.840 -12.792 1.00 0.00 H new ATOM 0 HG1 THR A 104 5.011 -9.207 -13.279 1.00 0.00 H new ATOM 0 HG21 THR A 104 4.353 -11.437 -12.795 1.00 0.00 H new ATOM 0 HG22 THR A 104 5.180 -12.209 -11.421 1.00 0.00 H new ATOM 0 HG23 THR A 104 4.171 -10.766 -11.157 1.00 0.00 H new ATOM 1556 N PRO A 105 9.152 -9.715 -11.476 1.00 0.00 N ATOM 1557 CA PRO A 105 10.360 -8.943 -11.715 1.00 0.00 C ATOM 1558 C PRO A 105 10.219 -8.080 -12.970 1.00 0.00 C ATOM 1559 O PRO A 105 9.468 -8.422 -13.883 1.00 0.00 O ATOM 1560 CB PRO A 105 11.471 -9.974 -11.825 1.00 0.00 C ATOM 1561 CG PRO A 105 10.783 -11.300 -12.107 1.00 0.00 C ATOM 1562 CD PRO A 105 9.301 -11.127 -11.818 1.00 0.00 C ATOM 0 HA PRO A 105 10.571 -8.234 -10.915 1.00 0.00 H new ATOM 0 HB2 PRO A 105 12.165 -9.716 -12.625 1.00 0.00 H new ATOM 0 HB3 PRO A 105 12.051 -10.023 -10.903 1.00 0.00 H new ATOM 0 HG2 PRO A 105 10.937 -11.597 -13.144 1.00 0.00 H new ATOM 0 HG3 PRO A 105 11.204 -12.089 -11.483 1.00 0.00 H new ATOM 0 HD2 PRO A 105 8.695 -11.390 -12.685 1.00 0.00 H new ATOM 0 HD3 PRO A 105 8.980 -11.769 -10.998 1.00 0.00 H new ATOM 1570 N GLU A 106 10.953 -6.977 -12.977 1.00 0.00 N ATOM 1571 CA GLU A 106 10.919 -6.062 -14.105 1.00 0.00 C ATOM 1572 C GLU A 106 12.342 -5.701 -14.538 1.00 0.00 C ATOM 1573 O GLU A 106 13.307 -6.041 -13.856 1.00 0.00 O ATOM 1574 CB GLU A 106 10.113 -4.806 -13.769 1.00 0.00 C ATOM 1575 CG GLU A 106 10.815 -3.976 -12.692 1.00 0.00 C ATOM 1576 CD GLU A 106 10.273 -4.311 -11.301 1.00 0.00 C ATOM 1577 OE1 GLU A 106 9.273 -3.670 -10.912 1.00 0.00 O ATOM 1578 OE2 GLU A 106 10.871 -5.200 -10.658 1.00 0.00 O ATOM 0 H GLU A 106 11.575 -6.696 -12.219 1.00 0.00 H new ATOM 0 HA GLU A 106 10.422 -6.560 -14.937 1.00 0.00 H new ATOM 0 HB2 GLU A 106 9.980 -4.204 -14.668 1.00 0.00 H new ATOM 0 HB3 GLU A 106 9.118 -5.089 -13.424 1.00 0.00 H new ATOM 0 HG2 GLU A 106 11.888 -4.166 -12.723 1.00 0.00 H new ATOM 0 HG3 GLU A 106 10.673 -2.915 -12.896 1.00 0.00 H new ATOM 1585 N ALA A 107 12.426 -5.017 -15.670 1.00 0.00 N ATOM 1586 CA ALA A 107 13.714 -4.606 -16.202 1.00 0.00 C ATOM 1587 C ALA A 107 13.969 -3.143 -15.835 1.00 0.00 C ATOM 1588 O ALA A 107 13.220 -2.257 -16.243 1.00 0.00 O ATOM 1589 CB ALA A 107 13.741 -4.842 -17.714 1.00 0.00 C ATOM 0 H ALA A 107 11.623 -4.737 -16.233 1.00 0.00 H new ATOM 0 HA ALA A 107 14.517 -5.200 -15.765 1.00 0.00 H new ATOM 0 HB1 ALA A 107 14.707 -4.534 -18.113 1.00 0.00 H new ATOM 0 HB2 ALA A 107 13.585 -5.901 -17.920 1.00 0.00 H new ATOM 0 HB3 ALA A 107 12.950 -4.260 -18.187 1.00 0.00 H new ATOM 1595 N MET A 108 15.030 -2.935 -15.070 1.00 0.00 N ATOM 1596 CA MET A 108 15.394 -1.594 -14.643 1.00 0.00 C ATOM 1597 C MET A 108 16.690 -1.610 -13.830 1.00 0.00 C ATOM 1598 O MET A 108 16.676 -1.921 -12.640 1.00 0.00 O ATOM 1599 CB MET A 108 14.266 -1.004 -13.795 1.00 0.00 C ATOM 1600 CG MET A 108 14.084 0.487 -14.085 1.00 0.00 C ATOM 1601 SD MET A 108 12.396 0.971 -13.764 1.00 0.00 S ATOM 1602 CE MET A 108 11.678 0.674 -15.370 1.00 0.00 C ATOM 0 H MET A 108 15.650 -3.672 -14.734 1.00 0.00 H new ATOM 0 HA MET A 108 15.552 -0.981 -15.530 1.00 0.00 H new ATOM 0 HB2 MET A 108 13.336 -1.534 -14.001 1.00 0.00 H new ATOM 0 HB3 MET A 108 14.488 -1.148 -12.738 1.00 0.00 H new ATOM 0 HG2 MET A 108 14.763 1.072 -13.464 1.00 0.00 H new ATOM 0 HG3 MET A 108 14.340 0.698 -15.123 1.00 0.00 H new ATOM 0 HE1 MET A 108 10.684 1.120 -15.412 1.00 0.00 H new ATOM 0 HE2 MET A 108 12.309 1.120 -16.139 1.00 0.00 H new ATOM 0 HE3 MET A 108 11.601 -0.400 -15.541 1.00 0.00 H new ATOM 1612 N PRO A 109 17.807 -1.261 -14.522 1.00 0.00 N ATOM 1613 CA PRO A 109 19.109 -1.232 -13.877 1.00 0.00 C ATOM 1614 C PRO A 109 19.245 -0.006 -12.972 1.00 0.00 C ATOM 1615 O PRO A 109 19.302 -0.135 -11.750 1.00 0.00 O ATOM 1616 CB PRO A 109 20.114 -1.243 -15.018 1.00 0.00 C ATOM 1617 CG PRO A 109 19.344 -0.809 -16.255 1.00 0.00 C ATOM 1618 CD PRO A 109 17.861 -0.886 -15.932 1.00 0.00 C ATOM 0 HA PRO A 109 19.269 -2.083 -13.215 1.00 0.00 H new ATOM 0 HB2 PRO A 109 20.942 -0.564 -14.815 1.00 0.00 H new ATOM 0 HB3 PRO A 109 20.542 -2.237 -15.153 1.00 0.00 H new ATOM 0 HG2 PRO A 109 19.620 0.206 -16.540 1.00 0.00 H new ATOM 0 HG3 PRO A 109 19.585 -1.454 -17.100 1.00 0.00 H new ATOM 0 HD2 PRO A 109 17.368 0.070 -16.106 1.00 0.00 H new ATOM 0 HD3 PRO A 109 17.357 -1.623 -16.557 1.00 0.00 H new ATOM 1626 N ASP A 110 19.294 1.156 -13.607 1.00 0.00 N ATOM 1627 CA ASP A 110 19.422 2.404 -12.874 1.00 0.00 C ATOM 1628 C ASP A 110 19.130 3.575 -13.815 1.00 0.00 C ATOM 1629 O ASP A 110 19.069 3.399 -15.030 1.00 0.00 O ATOM 1630 CB ASP A 110 20.841 2.579 -12.328 1.00 0.00 C ATOM 1631 CG ASP A 110 20.947 3.437 -11.066 1.00 0.00 C ATOM 1632 OD1 ASP A 110 19.878 3.866 -10.580 1.00 0.00 O ATOM 1633 OD2 ASP A 110 22.094 3.644 -10.615 1.00 0.00 O ATOM 0 H ASP A 110 19.247 1.259 -14.621 1.00 0.00 H new ATOM 0 HA ASP A 110 18.716 2.382 -12.044 1.00 0.00 H new ATOM 0 HB2 ASP A 110 21.256 1.594 -12.115 1.00 0.00 H new ATOM 0 HB3 ASP A 110 21.461 3.025 -13.106 1.00 0.00 H new ATOM 1638 N LEU A 111 18.957 4.744 -13.216 1.00 0.00 N ATOM 1639 CA LEU A 111 18.673 5.944 -13.985 1.00 0.00 C ATOM 1640 C LEU A 111 19.989 6.621 -14.371 1.00 0.00 C ATOM 1641 O LEU A 111 20.444 6.502 -15.508 1.00 0.00 O ATOM 1642 CB LEU A 111 17.713 6.857 -13.219 1.00 0.00 C ATOM 1643 CG LEU A 111 16.925 6.200 -12.084 1.00 0.00 C ATOM 1644 CD1 LEU A 111 17.718 6.232 -10.776 1.00 0.00 C ATOM 1645 CD2 LEU A 111 15.544 6.840 -11.933 1.00 0.00 C ATOM 0 H LEU A 111 19.008 4.886 -12.207 1.00 0.00 H new ATOM 0 HA LEU A 111 18.161 5.689 -14.913 1.00 0.00 H new ATOM 0 HB2 LEU A 111 18.285 7.687 -12.804 1.00 0.00 H new ATOM 0 HB3 LEU A 111 17.003 7.282 -13.929 1.00 0.00 H new ATOM 0 HG LEU A 111 16.768 5.152 -12.339 1.00 0.00 H new ATOM 0 HD11 LEU A 111 17.135 5.759 -9.986 1.00 0.00 H new ATOM 0 HD12 LEU A 111 18.657 5.694 -10.906 1.00 0.00 H new ATOM 0 HD13 LEU A 111 17.927 7.266 -10.503 1.00 0.00 H new ATOM 0 HD21 LEU A 111 15.005 6.354 -11.120 1.00 0.00 H new ATOM 0 HD22 LEU A 111 15.657 7.901 -11.711 1.00 0.00 H new ATOM 0 HD23 LEU A 111 14.984 6.721 -12.861 1.00 0.00 H new ATOM 1657 N ASN A 112 20.566 7.318 -13.402 1.00 0.00 N ATOM 1658 CA ASN A 112 21.821 8.014 -13.626 1.00 0.00 C ATOM 1659 C ASN A 112 21.682 8.927 -14.846 1.00 0.00 C ATOM 1660 O ASN A 112 20.637 8.949 -15.493 1.00 0.00 O ATOM 1661 CB ASN A 112 22.957 7.027 -13.901 1.00 0.00 C ATOM 1662 CG ASN A 112 24.297 7.583 -13.415 1.00 0.00 C ATOM 1663 OD1 ASN A 112 24.363 8.487 -12.597 1.00 0.00 O ATOM 1664 ND2 ASN A 112 25.357 6.996 -13.962 1.00 0.00 N ATOM 0 H ASN A 112 20.187 7.415 -12.460 1.00 0.00 H new ATOM 0 HA ASN A 112 22.052 8.589 -12.729 1.00 0.00 H new ATOM 0 HB2 ASN A 112 22.750 6.080 -13.402 1.00 0.00 H new ATOM 0 HB3 ASN A 112 23.012 6.819 -14.970 1.00 0.00 H new ATOM 0 HD21 ASN A 112 26.297 7.297 -13.703 1.00 0.00 H new ATOM 0 HD22 ASN A 112 25.231 6.245 -14.641 1.00 0.00 H new ATOM 1671 N SER A 113 22.752 9.659 -15.122 1.00 0.00 N ATOM 1672 CA SER A 113 22.762 10.571 -16.253 1.00 0.00 C ATOM 1673 C SER A 113 21.688 11.645 -16.069 1.00 0.00 C ATOM 1674 O SER A 113 20.673 11.408 -15.415 1.00 0.00 O ATOM 1675 CB SER A 113 22.543 9.821 -17.568 1.00 0.00 C ATOM 1676 OG SER A 113 23.773 9.414 -18.162 1.00 0.00 O ATOM 0 H SER A 113 23.617 9.639 -14.582 1.00 0.00 H new ATOM 0 HA SER A 113 23.741 11.049 -16.298 1.00 0.00 H new ATOM 0 HB2 SER A 113 21.921 8.945 -17.386 1.00 0.00 H new ATOM 0 HB3 SER A 113 21.999 10.460 -18.263 1.00 0.00 H new ATOM 0 HG SER A 113 23.590 8.937 -18.998 1.00 0.00 H new ATOM 1682 N SER A 114 21.948 12.804 -16.657 1.00 0.00 N ATOM 1683 CA SER A 114 21.016 13.915 -16.565 1.00 0.00 C ATOM 1684 C SER A 114 20.881 14.366 -15.110 1.00 0.00 C ATOM 1685 O SER A 114 20.128 13.772 -14.339 1.00 0.00 O ATOM 1686 CB SER A 114 19.647 13.533 -17.132 1.00 0.00 C ATOM 1687 OG SER A 114 19.180 14.485 -18.085 1.00 0.00 O ATOM 0 H SER A 114 22.790 12.997 -17.199 1.00 0.00 H new ATOM 0 HA SER A 114 21.408 14.741 -17.159 1.00 0.00 H new ATOM 0 HB2 SER A 114 19.710 12.551 -17.601 1.00 0.00 H new ATOM 0 HB3 SER A 114 18.927 13.452 -16.318 1.00 0.00 H new ATOM 0 HG SER A 114 18.305 14.205 -18.425 1.00 0.00 H new ATOM 1693 N GLY A 115 21.621 15.414 -14.777 1.00 0.00 N ATOM 1694 CA GLY A 115 21.593 15.951 -13.428 1.00 0.00 C ATOM 1695 C GLY A 115 22.020 17.421 -13.414 1.00 0.00 C ATOM 1696 O GLY A 115 23.140 17.741 -13.020 1.00 0.00 O ATOM 0 H GLY A 115 22.243 15.905 -15.419 1.00 0.00 H new ATOM 0 HA2 GLY A 115 20.588 15.856 -13.016 1.00 0.00 H new ATOM 0 HA3 GLY A 115 22.256 15.370 -12.787 1.00 0.00 H new ATOM 1700 N PRO A 116 21.081 18.297 -13.861 1.00 0.00 N ATOM 1701 CA PRO A 116 21.349 19.724 -13.903 1.00 0.00 C ATOM 1702 C PRO A 116 21.300 20.333 -12.501 1.00 0.00 C ATOM 1703 O PRO A 116 20.968 19.649 -11.534 1.00 0.00 O ATOM 1704 CB PRO A 116 20.293 20.295 -14.836 1.00 0.00 C ATOM 1705 CG PRO A 116 19.195 19.247 -14.913 1.00 0.00 C ATOM 1706 CD PRO A 116 19.743 17.953 -14.335 1.00 0.00 C ATOM 0 HA PRO A 116 22.350 19.953 -14.268 1.00 0.00 H new ATOM 0 HB2 PRO A 116 19.905 21.240 -14.455 1.00 0.00 H new ATOM 0 HB3 PRO A 116 20.711 20.496 -15.822 1.00 0.00 H new ATOM 0 HG2 PRO A 116 18.317 19.572 -14.355 1.00 0.00 H new ATOM 0 HG3 PRO A 116 18.880 19.100 -15.946 1.00 0.00 H new ATOM 0 HD2 PRO A 116 19.117 17.586 -13.522 1.00 0.00 H new ATOM 0 HD3 PRO A 116 19.780 17.167 -15.089 1.00 0.00 H new ATOM 1714 N SER A 117 21.635 21.614 -12.435 1.00 0.00 N ATOM 1715 CA SER A 117 21.633 22.323 -11.166 1.00 0.00 C ATOM 1716 C SER A 117 22.677 21.716 -10.226 1.00 0.00 C ATOM 1717 O SER A 117 23.123 20.589 -10.433 1.00 0.00 O ATOM 1718 CB SER A 117 20.249 22.286 -10.516 1.00 0.00 C ATOM 1719 OG SER A 117 19.489 23.455 -10.811 1.00 0.00 O ATOM 0 H SER A 117 21.909 22.179 -13.239 1.00 0.00 H new ATOM 0 HA SER A 117 21.887 23.366 -11.357 1.00 0.00 H new ATOM 0 HB2 SER A 117 19.709 21.405 -10.863 1.00 0.00 H new ATOM 0 HB3 SER A 117 20.358 22.188 -9.436 1.00 0.00 H new ATOM 0 HG SER A 117 18.611 23.392 -10.379 1.00 0.00 H new ATOM 1725 N SER A 118 23.036 22.491 -9.214 1.00 0.00 N ATOM 1726 CA SER A 118 24.019 22.045 -8.241 1.00 0.00 C ATOM 1727 C SER A 118 23.968 22.936 -6.999 1.00 0.00 C ATOM 1728 O SER A 118 24.190 24.143 -7.087 1.00 0.00 O ATOM 1729 CB SER A 118 25.427 22.048 -8.840 1.00 0.00 C ATOM 1730 OG SER A 118 25.790 23.330 -9.344 1.00 0.00 O ATOM 0 H SER A 118 22.664 23.426 -9.046 1.00 0.00 H new ATOM 0 HA SER A 118 23.777 21.021 -7.955 1.00 0.00 H new ATOM 0 HB2 SER A 118 26.145 21.741 -8.080 1.00 0.00 H new ATOM 0 HB3 SER A 118 25.480 21.314 -9.644 1.00 0.00 H new ATOM 0 HG SER A 118 25.418 24.027 -8.764 1.00 0.00 H new ATOM 1736 N GLY A 119 23.676 22.308 -5.870 1.00 0.00 N ATOM 1737 CA GLY A 119 23.594 23.029 -4.611 1.00 0.00 C ATOM 1738 C GLY A 119 22.194 22.915 -4.004 1.00 0.00 C ATOM 1739 O GLY A 119 21.375 23.820 -4.149 1.00 0.00 O ATOM 0 H GLY A 119 23.493 21.307 -5.801 1.00 0.00 H new ATOM 0 HA2 GLY A 119 24.331 22.633 -3.912 1.00 0.00 H new ATOM 0 HA3 GLY A 119 23.840 24.079 -4.772 1.00 0.00 H new TER 1743 GLY A 119