USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 834 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 66 GLN : amide:sc= -0.0471 X(o=-8,f=-8.4) USER MOD Set 1.2: A 70 HIS : no HE2:sc= -7.92! C(o=-8!,f=-8.4!) USER MOD Set 2.1: A 45 GLN :FLIP amide:sc= -1.87 F(o=-4.1,f=-2.5) USER MOD Set 2.2: A 48 GLN : amide:sc= -0.644 X(o=-2.5,f=-2.6) USER MOD Single : A 1 GLY N :NH3+ 143:sc= 0.0227 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.772 K(o=-0.77,f=-2!) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 THR OG1 : rot -71:sc= 0.431 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0.0143 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.211 X(o=-0.21,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -168:sc= -0.903 (180deg=-1.16) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 161:sc= -0.0198 (180deg=-0.211) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 177:sc= 0.372 USER MOD Single : A 35 LYS NZ :NH3+ -155:sc= -0.0651 (180deg=-0.382) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.384 X(o=-0.38,f=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 7:sc= -4.47! USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot -38:sc= 0.485 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -0.285 X(o=-0.29,f=-0.59) USER MOD Single : A 63 THR OG1 : rot 110:sc= -3.27 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot -73:sc= 0.00861 USER MOD Single : A 74 THR OG1 : rot -104:sc= 0.384 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -147:sc= -0.0655 (180deg=-1.1) USER MOD Single : A 81 GLN : amide:sc= -0.149 X(o=-0.15,f=0) USER MOD Single : A 82 GLN : amide:sc= 0.52 K(o=0.52,f=-4!) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -0.0275 X(o=-0.027,f=0) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -0.198 X(o=-0.2,f=0) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.969 -36.353 11.076 1.00 0.00 N ATOM 2 CA GLY A 1 -0.701 -35.584 10.933 1.00 0.00 C ATOM 3 C GLY A 1 0.065 -35.957 9.678 1.00 0.00 C ATOM 4 O GLY A 1 -0.022 -37.093 9.210 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.129 -36.575 12.079 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.762 -35.784 10.717 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.902 -37.237 10.532 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.926 -34.518 10.914 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.072 -35.761 11.805 1.00 0.00 H new ATOM 10 N PRO A 2 0.833 -35.015 9.104 1.00 0.00 N ATOM 11 CA PRO A 2 1.618 -35.263 7.890 1.00 0.00 C ATOM 12 C PRO A 2 2.510 -36.493 8.022 1.00 0.00 C ATOM 13 O PRO A 2 2.815 -37.159 7.032 1.00 0.00 O ATOM 14 CB PRO A 2 2.465 -33.998 7.746 1.00 0.00 C ATOM 15 CG PRO A 2 1.693 -32.941 8.456 1.00 0.00 C ATOM 16 CD PRO A 2 0.997 -33.633 9.594 1.00 0.00 C ATOM 0 HA PRO A 2 0.983 -35.463 7.027 1.00 0.00 H new ATOM 0 HB2 PRO A 2 3.453 -34.131 8.188 1.00 0.00 H new ATOM 0 HB3 PRO A 2 2.617 -33.741 6.698 1.00 0.00 H new ATOM 0 HG2 PRO A 2 2.353 -32.155 8.822 1.00 0.00 H new ATOM 0 HG3 PRO A 2 0.973 -32.468 7.788 1.00 0.00 H new ATOM 0 HD2 PRO A 2 1.590 -33.598 10.508 1.00 0.00 H new ATOM 0 HD3 PRO A 2 0.036 -33.170 9.819 1.00 0.00 H new ATOM 24 N GLY A 3 2.927 -36.786 9.249 1.00 0.00 N ATOM 25 CA GLY A 3 3.782 -37.935 9.486 1.00 0.00 C ATOM 26 C GLY A 3 5.197 -37.540 9.864 1.00 0.00 C ATOM 27 O GLY A 3 6.144 -38.285 9.613 1.00 0.00 O ATOM 0 H GLY A 3 2.689 -36.249 10.083 1.00 0.00 H new ATOM 0 HA2 GLY A 3 3.354 -38.544 10.282 1.00 0.00 H new ATOM 0 HA3 GLY A 3 3.809 -38.555 8.590 1.00 0.00 H new ATOM 31 N SER A 4 5.339 -36.366 10.469 1.00 0.00 N ATOM 32 CA SER A 4 6.650 -35.873 10.882 1.00 0.00 C ATOM 33 C SER A 4 6.520 -34.884 12.035 1.00 0.00 C ATOM 34 O SER A 4 5.462 -34.289 12.241 1.00 0.00 O ATOM 35 CB SER A 4 7.363 -35.209 9.703 1.00 0.00 C ATOM 36 OG SER A 4 8.751 -35.496 9.719 1.00 0.00 O ATOM 0 H SER A 4 4.565 -35.738 10.685 1.00 0.00 H new ATOM 0 HA SER A 4 7.240 -36.724 11.222 1.00 0.00 H new ATOM 0 HB2 SER A 4 6.927 -35.558 8.767 1.00 0.00 H new ATOM 0 HB3 SER A 4 7.211 -34.130 9.743 1.00 0.00 H new ATOM 0 HG SER A 4 9.184 -35.062 8.954 1.00 0.00 H new ATOM 42 N LEU A 5 7.603 -34.716 12.788 1.00 0.00 N ATOM 43 CA LEU A 5 7.609 -33.798 13.923 1.00 0.00 C ATOM 44 C LEU A 5 8.732 -32.773 13.796 1.00 0.00 C ATOM 45 O LEU A 5 8.554 -31.601 14.127 1.00 0.00 O ATOM 46 CB LEU A 5 7.756 -34.576 15.233 1.00 0.00 C ATOM 47 CG LEU A 5 8.978 -35.493 15.310 1.00 0.00 C ATOM 48 CD1 LEU A 5 9.337 -35.781 16.761 1.00 0.00 C ATOM 49 CD2 LEU A 5 8.720 -36.789 14.555 1.00 0.00 C ATOM 0 H LEU A 5 8.486 -35.202 12.633 1.00 0.00 H new ATOM 0 HA LEU A 5 6.659 -33.264 13.929 1.00 0.00 H new ATOM 0 HB2 LEU A 5 7.803 -33.864 16.057 1.00 0.00 H new ATOM 0 HB3 LEU A 5 6.860 -35.178 15.383 1.00 0.00 H new ATOM 0 HG LEU A 5 9.821 -34.985 14.842 1.00 0.00 H new ATOM 0 HD11 LEU A 5 10.208 -36.435 16.797 1.00 0.00 H new ATOM 0 HD12 LEU A 5 9.564 -34.845 17.272 1.00 0.00 H new ATOM 0 HD13 LEU A 5 8.496 -36.269 17.254 1.00 0.00 H new ATOM 0 HD21 LEU A 5 9.600 -37.429 14.620 1.00 0.00 H new ATOM 0 HD22 LEU A 5 7.864 -37.302 14.994 1.00 0.00 H new ATOM 0 HD23 LEU A 5 8.511 -36.565 13.509 1.00 0.00 H new ATOM 61 N SER A 6 9.888 -33.220 13.317 1.00 0.00 N ATOM 62 CA SER A 6 11.038 -32.339 13.149 1.00 0.00 C ATOM 63 C SER A 6 11.199 -31.925 11.690 1.00 0.00 C ATOM 64 O SER A 6 10.566 -32.491 10.799 1.00 0.00 O ATOM 65 CB SER A 6 12.312 -33.028 13.641 1.00 0.00 C ATOM 66 OG SER A 6 13.133 -32.127 14.365 1.00 0.00 O ATOM 0 H SER A 6 10.053 -34.187 13.038 1.00 0.00 H new ATOM 0 HA SER A 6 10.866 -31.442 13.744 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.049 -33.875 14.275 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.866 -33.426 12.790 1.00 0.00 H new ATOM 0 HG SER A 6 13.940 -32.592 14.670 1.00 0.00 H new ATOM 72 N ASN A 7 12.052 -30.932 11.454 1.00 0.00 N ATOM 73 CA ASN A 7 12.297 -30.441 10.103 1.00 0.00 C ATOM 74 C ASN A 7 13.705 -30.803 9.640 1.00 0.00 C ATOM 75 O ASN A 7 14.651 -30.785 10.428 1.00 0.00 O ATOM 76 CB ASN A 7 12.104 -28.925 10.046 1.00 0.00 C ATOM 77 CG ASN A 7 12.883 -28.202 11.125 1.00 0.00 C ATOM 78 OD1 ASN A 7 13.836 -28.743 11.687 1.00 0.00 O ATOM 79 ND2 ASN A 7 12.482 -26.970 11.422 1.00 0.00 N ATOM 0 H ASN A 7 12.584 -30.453 12.180 1.00 0.00 H new ATOM 0 HA ASN A 7 11.580 -30.917 9.435 1.00 0.00 H new ATOM 0 HB2 ASN A 7 12.417 -28.558 9.068 1.00 0.00 H new ATOM 0 HB3 ASN A 7 11.044 -28.692 10.149 1.00 0.00 H new ATOM 0 HD21 ASN A 7 12.969 -26.434 12.141 1.00 0.00 H new ATOM 0 HD22 ASN A 7 11.687 -26.560 10.931 1.00 0.00 H new ATOM 86 N PHE A 8 13.836 -31.130 8.359 1.00 0.00 N ATOM 87 CA PHE A 8 15.130 -31.495 7.791 1.00 0.00 C ATOM 88 C PHE A 8 15.071 -31.511 6.268 1.00 0.00 C ATOM 89 O PHE A 8 15.755 -30.735 5.602 1.00 0.00 O ATOM 90 CB PHE A 8 15.569 -32.864 8.313 1.00 0.00 C ATOM 91 CG PHE A 8 17.036 -32.947 8.623 1.00 0.00 C ATOM 92 CD1 PHE A 8 17.976 -32.879 7.608 1.00 0.00 C ATOM 93 CD2 PHE A 8 17.474 -33.094 9.929 1.00 0.00 C ATOM 94 CE1 PHE A 8 19.327 -32.954 7.889 1.00 0.00 C ATOM 95 CE2 PHE A 8 18.824 -33.169 10.217 1.00 0.00 C ATOM 96 CZ PHE A 8 19.752 -33.098 9.196 1.00 0.00 C ATOM 0 H PHE A 8 13.063 -31.150 7.694 1.00 0.00 H new ATOM 0 HA PHE A 8 15.860 -30.746 8.098 1.00 0.00 H new ATOM 0 HB2 PHE A 8 15.002 -33.099 9.214 1.00 0.00 H new ATOM 0 HB3 PHE A 8 15.319 -33.623 7.572 1.00 0.00 H new ATOM 0 HD1 PHE A 8 17.649 -32.766 6.585 1.00 0.00 H new ATOM 0 HD2 PHE A 8 16.753 -33.151 10.731 1.00 0.00 H new ATOM 0 HE1 PHE A 8 20.050 -32.900 7.088 1.00 0.00 H new ATOM 0 HE2 PHE A 8 19.153 -33.283 11.239 1.00 0.00 H new ATOM 0 HZ PHE A 8 20.807 -33.155 9.419 1.00 0.00 H new ATOM 106 N ALA A 9 14.248 -32.402 5.722 1.00 0.00 N ATOM 107 CA ALA A 9 14.100 -32.518 4.277 1.00 0.00 C ATOM 108 C ALA A 9 13.371 -31.310 3.699 1.00 0.00 C ATOM 109 O ALA A 9 12.994 -30.393 4.430 1.00 0.00 O ATOM 110 CB ALA A 9 13.360 -33.799 3.925 1.00 0.00 C ATOM 0 H ALA A 9 13.675 -33.053 6.259 1.00 0.00 H new ATOM 0 HA ALA A 9 15.097 -32.552 3.837 1.00 0.00 H new ATOM 0 HB1 ALA A 9 13.256 -33.873 2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.921 -34.657 4.296 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.372 -33.786 4.384 1.00 0.00 H new ATOM 116 N ASN A 10 13.177 -31.314 2.385 1.00 0.00 N ATOM 117 CA ASN A 10 12.494 -30.217 1.710 1.00 0.00 C ATOM 118 C ASN A 10 11.032 -30.142 2.135 1.00 0.00 C ATOM 119 O ASN A 10 10.177 -30.833 1.580 1.00 0.00 O ATOM 120 CB ASN A 10 12.587 -30.387 0.192 1.00 0.00 C ATOM 121 CG ASN A 10 12.543 -29.061 -0.541 1.00 0.00 C ATOM 122 OD1 ASN A 10 13.577 -28.445 -0.799 1.00 0.00 O ATOM 123 ND2 ASN A 10 11.339 -28.614 -0.883 1.00 0.00 N ATOM 0 H ASN A 10 13.483 -32.065 1.766 1.00 0.00 H new ATOM 0 HA ASN A 10 12.985 -29.287 1.996 1.00 0.00 H new ATOM 0 HB2 ASN A 10 13.513 -30.906 -0.057 1.00 0.00 H new ATOM 0 HB3 ASN A 10 11.766 -31.017 -0.151 1.00 0.00 H new ATOM 0 HD21 ASN A 10 11.246 -27.728 -1.379 1.00 0.00 H new ATOM 0 HD22 ASN A 10 10.508 -29.157 -0.649 1.00 0.00 H new ATOM 130 N VAL A 11 10.752 -29.298 3.122 1.00 0.00 N ATOM 131 CA VAL A 11 9.392 -29.131 3.621 1.00 0.00 C ATOM 132 C VAL A 11 8.891 -27.708 3.388 1.00 0.00 C ATOM 133 O VAL A 11 7.724 -27.496 3.063 1.00 0.00 O ATOM 134 CB VAL A 11 9.299 -29.461 5.126 1.00 0.00 C ATOM 135 CG1 VAL A 11 10.161 -28.508 5.941 1.00 0.00 C ATOM 136 CG2 VAL A 11 7.852 -29.417 5.595 1.00 0.00 C ATOM 0 H VAL A 11 11.448 -28.719 3.592 1.00 0.00 H new ATOM 0 HA VAL A 11 8.764 -29.828 3.067 1.00 0.00 H new ATOM 0 HB VAL A 11 9.676 -30.472 5.279 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.080 -28.759 6.999 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.200 -28.597 5.625 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.820 -27.485 5.784 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.807 -29.652 6.658 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.445 -28.420 5.426 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.266 -30.147 5.037 1.00 0.00 H new ATOM 146 N GLY A 12 9.783 -26.737 3.555 1.00 0.00 N ATOM 147 CA GLY A 12 9.416 -25.347 3.360 1.00 0.00 C ATOM 148 C GLY A 12 9.776 -24.479 4.548 1.00 0.00 C ATOM 149 O GLY A 12 10.952 -24.232 4.812 1.00 0.00 O ATOM 0 H GLY A 12 10.756 -26.889 3.823 1.00 0.00 H new ATOM 0 HA2 GLY A 12 9.916 -24.964 2.470 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.344 -25.280 3.177 1.00 0.00 H new ATOM 153 N VAL A 13 8.760 -24.015 5.268 1.00 0.00 N ATOM 154 CA VAL A 13 8.975 -23.168 6.436 1.00 0.00 C ATOM 155 C VAL A 13 8.527 -23.874 7.712 1.00 0.00 C ATOM 156 O VAL A 13 9.183 -23.776 8.749 1.00 0.00 O ATOM 157 CB VAL A 13 8.217 -21.834 6.310 1.00 0.00 C ATOM 158 CG1 VAL A 13 8.904 -20.922 5.304 1.00 0.00 C ATOM 159 CG2 VAL A 13 6.769 -22.077 5.918 1.00 0.00 C ATOM 0 H VAL A 13 7.780 -24.211 5.064 1.00 0.00 H new ATOM 0 HA VAL A 13 10.045 -22.965 6.489 1.00 0.00 H new ATOM 0 HB VAL A 13 8.227 -21.339 7.281 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.354 -19.984 5.228 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.923 -20.720 5.633 1.00 0.00 H new ATOM 0 HG13 VAL A 13 8.928 -21.408 4.329 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.250 -21.122 5.834 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.734 -22.595 4.960 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.284 -22.688 6.679 1.00 0.00 H new ATOM 169 N GLY A 14 7.409 -24.585 7.627 1.00 0.00 N ATOM 170 CA GLY A 14 6.892 -25.297 8.781 1.00 0.00 C ATOM 171 C GLY A 14 5.378 -25.376 8.785 1.00 0.00 C ATOM 172 O GLY A 14 4.741 -25.155 9.814 1.00 0.00 O ATOM 0 H GLY A 14 6.851 -24.681 6.779 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.305 -26.306 8.796 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.229 -24.801 9.691 1.00 0.00 H new ATOM 176 N THR A 15 4.800 -25.691 7.630 1.00 0.00 N ATOM 177 CA THR A 15 3.350 -25.799 7.504 1.00 0.00 C ATOM 178 C THR A 15 2.956 -26.181 6.079 1.00 0.00 C ATOM 179 O THR A 15 2.421 -25.364 5.330 1.00 0.00 O ATOM 180 CB THR A 15 2.684 -24.477 7.893 1.00 0.00 C ATOM 181 OG1 THR A 15 1.294 -24.518 7.622 1.00 0.00 O ATOM 182 CG2 THR A 15 3.258 -23.281 7.167 1.00 0.00 C ATOM 0 H THR A 15 5.313 -25.876 6.768 1.00 0.00 H new ATOM 0 HA THR A 15 3.008 -26.583 8.180 1.00 0.00 H new ATOM 0 HB THR A 15 2.876 -24.360 8.960 1.00 0.00 H new ATOM 0 HG1 THR A 15 1.149 -24.499 6.653 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.741 -22.377 7.489 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.320 -23.192 7.395 1.00 0.00 H new ATOM 0 HG23 THR A 15 3.127 -23.410 6.093 1.00 0.00 H new ATOM 190 N SER A 16 3.225 -27.430 5.711 1.00 0.00 N ATOM 191 CA SER A 16 2.899 -27.921 4.377 1.00 0.00 C ATOM 192 C SER A 16 1.577 -28.682 4.384 1.00 0.00 C ATOM 193 O SER A 16 1.426 -29.694 3.699 1.00 0.00 O ATOM 194 CB SER A 16 4.018 -28.826 3.857 1.00 0.00 C ATOM 195 OG SER A 16 4.223 -29.933 4.719 1.00 0.00 O ATOM 0 H SER A 16 3.668 -28.120 6.318 1.00 0.00 H new ATOM 0 HA SER A 16 2.798 -27.061 3.715 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.767 -29.181 2.857 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.941 -28.254 3.770 1.00 0.00 H new ATOM 0 HG SER A 16 4.942 -30.496 4.363 1.00 0.00 H new ATOM 201 N SER A 17 0.620 -28.187 5.162 1.00 0.00 N ATOM 202 CA SER A 17 -0.691 -28.821 5.258 1.00 0.00 C ATOM 203 C SER A 17 -1.548 -28.486 4.042 1.00 0.00 C ATOM 204 O SER A 17 -1.251 -27.550 3.299 1.00 0.00 O ATOM 205 CB SER A 17 -1.403 -28.375 6.537 1.00 0.00 C ATOM 206 OG SER A 17 -0.472 -28.033 7.547 1.00 0.00 O ATOM 0 H SER A 17 0.727 -27.350 5.735 1.00 0.00 H new ATOM 0 HA SER A 17 -0.544 -29.901 5.289 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.041 -27.518 6.321 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.053 -29.175 6.893 1.00 0.00 H new ATOM 0 HG SER A 17 -0.953 -27.750 8.353 1.00 0.00 H new ATOM 212 N GLY A 18 -2.614 -29.255 3.844 1.00 0.00 N ATOM 213 CA GLY A 18 -3.497 -29.023 2.717 1.00 0.00 C ATOM 214 C GLY A 18 -4.446 -27.864 2.952 1.00 0.00 C ATOM 215 O GLY A 18 -5.616 -28.068 3.274 1.00 0.00 O ATOM 0 H GLY A 18 -2.882 -30.035 4.444 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.900 -28.825 1.827 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.074 -29.926 2.520 1.00 0.00 H new ATOM 219 N LYS A 19 -3.941 -26.646 2.788 1.00 0.00 N ATOM 220 CA LYS A 19 -4.753 -25.451 2.986 1.00 0.00 C ATOM 221 C LYS A 19 -4.108 -24.239 2.319 1.00 0.00 C ATOM 222 O LYS A 19 -3.108 -24.365 1.612 1.00 0.00 O ATOM 223 CB LYS A 19 -4.950 -25.184 4.479 1.00 0.00 C ATOM 224 CG LYS A 19 -6.310 -25.622 5.000 1.00 0.00 C ATOM 225 CD LYS A 19 -7.443 -24.974 4.219 1.00 0.00 C ATOM 226 CE LYS A 19 -8.480 -24.358 5.145 1.00 0.00 C ATOM 227 NZ LYS A 19 -9.007 -23.070 4.613 1.00 0.00 N ATOM 0 H LYS A 19 -2.975 -26.460 2.519 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.726 -25.622 2.525 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.171 -25.703 5.038 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.823 -24.118 4.669 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.394 -26.707 4.932 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.398 -25.361 6.055 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.039 -24.205 3.561 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.920 -25.719 3.582 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.304 -25.058 5.283 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.036 -24.191 6.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.711 -22.683 5.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.225 -22.393 4.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.454 -23.233 3.688 1.00 0.00 H new ATOM 241 N GLN A 20 -4.689 -23.065 2.549 1.00 0.00 N ATOM 242 CA GLN A 20 -4.171 -21.830 1.972 1.00 0.00 C ATOM 243 C GLN A 20 -4.420 -20.649 2.905 1.00 0.00 C ATOM 244 O GLN A 20 -5.543 -20.434 3.366 1.00 0.00 O ATOM 245 CB GLN A 20 -4.821 -21.567 0.613 1.00 0.00 C ATOM 246 CG GLN A 20 -3.910 -20.852 -0.369 1.00 0.00 C ATOM 247 CD GLN A 20 -2.917 -21.786 -1.031 1.00 0.00 C ATOM 248 OE1 GLN A 20 -3.181 -22.335 -2.101 1.00 0.00 O ATOM 249 NE2 GLN A 20 -1.766 -21.974 -0.395 1.00 0.00 N ATOM 0 H GLN A 20 -5.518 -22.944 3.131 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.095 -21.943 1.837 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.134 -22.517 0.180 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.722 -20.971 0.760 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.516 -20.370 -1.136 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -3.368 -20.063 0.152 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.589 -21.499 0.490 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -1.059 -22.594 -0.792 1.00 0.00 H new ATOM 258 N LYS A 21 -3.368 -19.884 3.178 1.00 0.00 N ATOM 259 CA LYS A 21 -3.476 -18.724 4.055 1.00 0.00 C ATOM 260 C LYS A 21 -4.207 -17.582 3.356 1.00 0.00 C ATOM 261 O LYS A 21 -4.463 -17.639 2.154 1.00 0.00 O ATOM 262 CB LYS A 21 -2.085 -18.262 4.496 1.00 0.00 C ATOM 263 CG LYS A 21 -2.051 -17.700 5.908 1.00 0.00 C ATOM 264 CD LYS A 21 -0.629 -17.596 6.432 1.00 0.00 C ATOM 265 CE LYS A 21 -0.035 -16.222 6.163 1.00 0.00 C ATOM 266 NZ LYS A 21 -0.292 -15.771 4.768 1.00 0.00 N ATOM 0 H LYS A 21 -2.433 -20.046 2.805 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.050 -19.015 4.935 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.394 -19.103 4.432 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.727 -17.501 3.802 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.517 -16.715 5.920 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.638 -18.338 6.569 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.620 -17.794 7.504 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.010 -18.360 5.961 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.458 -15.500 6.862 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.040 -16.249 6.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.292 -14.936 4.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.051 -16.536 4.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.297 -15.525 4.662 1.00 0.00 H new ATOM 280 N ARG A 22 -4.540 -16.546 4.119 1.00 0.00 N ATOM 281 CA ARG A 22 -5.244 -15.391 3.572 1.00 0.00 C ATOM 282 C ARG A 22 -4.620 -14.090 4.066 1.00 0.00 C ATOM 283 O ARG A 22 -4.018 -13.346 3.291 1.00 0.00 O ATOM 284 CB ARG A 22 -6.724 -15.439 3.956 1.00 0.00 C ATOM 285 CG ARG A 22 -7.512 -16.501 3.207 1.00 0.00 C ATOM 286 CD ARG A 22 -8.916 -16.022 2.872 1.00 0.00 C ATOM 287 NE ARG A 22 -9.754 -17.101 2.356 1.00 0.00 N ATOM 288 CZ ARG A 22 -11.076 -17.015 2.226 1.00 0.00 C ATOM 289 NH1 ARG A 22 -11.713 -15.903 2.570 1.00 0.00 N ATOM 290 NH2 ARG A 22 -11.763 -18.045 1.748 1.00 0.00 N ATOM 0 H ARG A 22 -4.334 -16.482 5.116 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.157 -15.425 2.486 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.807 -15.624 5.027 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.172 -14.464 3.765 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.988 -16.764 2.288 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.570 -17.406 3.811 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.378 -15.600 3.765 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.860 -15.222 2.134 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.300 -17.971 2.079 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -11.190 -15.108 2.936 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -12.726 -15.843 2.468 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.278 -18.902 1.481 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -12.776 -17.980 1.648 1.00 0.00 H new ATOM 304 N TYR A 23 -4.770 -13.821 5.359 1.00 0.00 N ATOM 305 CA TYR A 23 -4.223 -12.609 5.956 1.00 0.00 C ATOM 306 C TYR A 23 -4.805 -11.363 5.293 1.00 0.00 C ATOM 307 O TYR A 23 -4.142 -10.330 5.199 1.00 0.00 O ATOM 308 CB TYR A 23 -2.695 -12.604 5.843 1.00 0.00 C ATOM 309 CG TYR A 23 -1.990 -12.728 7.175 1.00 0.00 C ATOM 310 CD1 TYR A 23 -2.097 -13.887 7.934 1.00 0.00 C ATOM 311 CD2 TYR A 23 -1.216 -11.687 7.672 1.00 0.00 C ATOM 312 CE1 TYR A 23 -1.457 -14.003 9.152 1.00 0.00 C ATOM 313 CE2 TYR A 23 -0.572 -11.797 8.890 1.00 0.00 C ATOM 314 CZ TYR A 23 -0.694 -12.956 9.626 1.00 0.00 C ATOM 315 OH TYR A 23 -0.054 -13.068 10.838 1.00 0.00 O ATOM 0 H TYR A 23 -5.266 -14.426 6.013 1.00 0.00 H new ATOM 0 HA TYR A 23 -4.500 -12.595 7.010 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -2.384 -13.426 5.199 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -2.378 -11.681 5.358 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -2.690 -14.711 7.565 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -1.116 -10.778 7.098 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -1.553 -14.910 9.731 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.025 -10.978 9.264 1.00 0.00 H new ATOM 0 HH TYR A 23 0.441 -12.243 11.024 1.00 0.00 H new ATOM 325 N LYS A 24 -6.049 -11.470 4.837 1.00 0.00 N ATOM 326 CA LYS A 24 -6.724 -10.355 4.185 1.00 0.00 C ATOM 327 C LYS A 24 -7.300 -9.392 5.213 1.00 0.00 C ATOM 328 O LYS A 24 -8.507 -9.147 5.248 1.00 0.00 O ATOM 329 CB LYS A 24 -7.831 -10.870 3.261 1.00 0.00 C ATOM 330 CG LYS A 24 -7.406 -10.975 1.804 1.00 0.00 C ATOM 331 CD LYS A 24 -8.447 -10.375 0.874 1.00 0.00 C ATOM 332 CE LYS A 24 -8.572 -11.175 -0.412 1.00 0.00 C ATOM 333 NZ LYS A 24 -9.199 -12.505 -0.180 1.00 0.00 N ATOM 0 H LYS A 24 -6.610 -12.319 4.907 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.989 -9.816 3.587 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.156 -11.851 3.608 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.692 -10.205 3.333 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.454 -10.463 1.664 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.246 -12.022 1.545 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.412 -10.343 1.379 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.176 -9.346 0.639 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.167 -10.614 -1.132 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.584 -11.311 -0.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.559 -12.881 -1.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.491 -13.159 0.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.986 -12.405 0.493 1.00 0.00 H new ATOM 347 N PHE A 25 -6.424 -8.832 6.039 1.00 0.00 N ATOM 348 CA PHE A 25 -6.840 -7.877 7.057 1.00 0.00 C ATOM 349 C PHE A 25 -7.685 -6.779 6.426 1.00 0.00 C ATOM 350 O PHE A 25 -7.381 -6.320 5.326 1.00 0.00 O ATOM 351 CB PHE A 25 -5.612 -7.265 7.733 1.00 0.00 C ATOM 352 CG PHE A 25 -5.169 -8.009 8.960 1.00 0.00 C ATOM 353 CD1 PHE A 25 -6.044 -8.220 10.014 1.00 0.00 C ATOM 354 CD2 PHE A 25 -3.876 -8.498 9.060 1.00 0.00 C ATOM 355 CE1 PHE A 25 -5.638 -8.905 11.145 1.00 0.00 C ATOM 356 CE2 PHE A 25 -3.464 -9.182 10.187 1.00 0.00 C ATOM 357 CZ PHE A 25 -4.346 -9.386 11.231 1.00 0.00 C ATOM 0 H PHE A 25 -5.422 -9.023 6.023 1.00 0.00 H new ATOM 0 HA PHE A 25 -7.436 -8.397 7.807 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.790 -7.238 7.018 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -5.833 -6.233 8.004 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -7.055 -7.845 9.951 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -3.182 -8.342 8.247 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.330 -9.063 11.959 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.453 -9.557 10.252 1.00 0.00 H new ATOM 0 HZ PHE A 25 -4.026 -9.921 12.113 1.00 0.00 H new ATOM 367 N SER A 26 -8.740 -6.355 7.117 1.00 0.00 N ATOM 368 CA SER A 26 -9.600 -5.301 6.598 1.00 0.00 C ATOM 369 C SER A 26 -8.840 -3.984 6.602 1.00 0.00 C ATOM 370 O SER A 26 -9.202 -3.045 7.312 1.00 0.00 O ATOM 371 CB SER A 26 -10.872 -5.185 7.440 1.00 0.00 C ATOM 372 OG SER A 26 -11.951 -4.683 6.671 1.00 0.00 O ATOM 0 H SER A 26 -9.016 -6.722 8.028 1.00 0.00 H new ATOM 0 HA SER A 26 -9.891 -5.546 5.576 1.00 0.00 H new ATOM 0 HB2 SER A 26 -11.134 -6.163 7.844 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.690 -4.527 8.290 1.00 0.00 H new ATOM 0 HG SER A 26 -12.752 -4.620 7.233 1.00 0.00 H new ATOM 378 N ALA A 27 -7.762 -3.931 5.825 1.00 0.00 N ATOM 379 CA ALA A 27 -6.929 -2.743 5.762 1.00 0.00 C ATOM 380 C ALA A 27 -6.282 -2.480 7.118 1.00 0.00 C ATOM 381 O ALA A 27 -5.908 -1.350 7.428 1.00 0.00 O ATOM 382 CB ALA A 27 -7.748 -1.538 5.320 1.00 0.00 C ATOM 0 H ALA A 27 -7.448 -4.699 5.232 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.142 -2.910 5.027 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.107 -0.658 5.279 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.169 -1.727 4.333 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.555 -1.366 6.032 1.00 0.00 H new ATOM 388 N SER A 28 -6.153 -3.535 7.930 1.00 0.00 N ATOM 389 CA SER A 28 -5.554 -3.407 9.255 1.00 0.00 C ATOM 390 C SER A 28 -4.166 -2.780 9.173 1.00 0.00 C ATOM 391 O SER A 28 -3.746 -2.063 10.083 1.00 0.00 O ATOM 392 CB SER A 28 -5.469 -4.773 9.936 1.00 0.00 C ATOM 393 OG SER A 28 -6.717 -5.442 9.901 1.00 0.00 O ATOM 0 H SER A 28 -6.454 -4.480 7.691 1.00 0.00 H new ATOM 0 HA SER A 28 -6.192 -2.752 9.848 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.713 -5.382 9.441 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.150 -4.647 10.971 1.00 0.00 H new ATOM 0 HG SER A 28 -6.620 -6.335 10.292 1.00 0.00 H new ATOM 399 N GLU A 29 -3.458 -3.049 8.081 1.00 0.00 N ATOM 400 CA GLU A 29 -2.118 -2.501 7.892 1.00 0.00 C ATOM 401 C GLU A 29 -2.159 -0.975 7.891 1.00 0.00 C ATOM 402 O GLU A 29 -1.438 -0.321 8.649 1.00 0.00 O ATOM 403 CB GLU A 29 -1.520 -3.008 6.577 1.00 0.00 C ATOM 404 CG GLU A 29 -0.157 -2.416 6.257 1.00 0.00 C ATOM 405 CD GLU A 29 -0.107 -1.774 4.884 1.00 0.00 C ATOM 406 OE1 GLU A 29 -0.651 -2.369 3.930 1.00 0.00 O ATOM 407 OE2 GLU A 29 0.477 -0.676 4.763 1.00 0.00 O ATOM 0 H GLU A 29 -3.787 -3.640 7.317 1.00 0.00 H new ATOM 0 HA GLU A 29 -1.490 -2.833 8.719 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.433 -4.094 6.622 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.207 -2.777 5.763 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.098 -1.672 7.011 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.598 -3.200 6.315 1.00 0.00 H new ATOM 414 N ASP A 30 -3.017 -0.414 7.044 1.00 0.00 N ATOM 415 CA ASP A 30 -3.162 1.034 6.950 1.00 0.00 C ATOM 416 C ASP A 30 -3.702 1.601 8.254 1.00 0.00 C ATOM 417 O ASP A 30 -3.227 2.626 8.745 1.00 0.00 O ATOM 418 CB ASP A 30 -4.096 1.401 5.794 1.00 0.00 C ATOM 419 CG ASP A 30 -3.462 1.158 4.439 1.00 0.00 C ATOM 420 OD1 ASP A 30 -2.955 0.039 4.212 1.00 0.00 O ATOM 421 OD2 ASP A 30 -3.472 2.086 3.603 1.00 0.00 O ATOM 0 H ASP A 30 -3.622 -0.940 6.413 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.179 1.466 6.761 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.013 0.818 5.873 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.378 2.451 5.877 1.00 0.00 H new ATOM 426 N GLU A 31 -4.692 0.919 8.812 1.00 0.00 N ATOM 427 CA GLU A 31 -5.299 1.341 10.066 1.00 0.00 C ATOM 428 C GLU A 31 -4.276 1.299 11.194 1.00 0.00 C ATOM 429 O GLU A 31 -4.356 2.072 12.149 1.00 0.00 O ATOM 430 CB GLU A 31 -6.498 0.453 10.403 1.00 0.00 C ATOM 431 CG GLU A 31 -7.768 1.233 10.700 1.00 0.00 C ATOM 432 CD GLU A 31 -8.421 0.815 12.002 1.00 0.00 C ATOM 433 OE1 GLU A 31 -7.962 1.271 13.071 1.00 0.00 O ATOM 434 OE2 GLU A 31 -9.391 0.030 11.954 1.00 0.00 O ATOM 0 H GLU A 31 -5.093 0.069 8.415 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.647 2.368 9.952 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.684 -0.224 9.569 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.251 -0.165 11.266 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.535 2.297 10.741 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.475 1.093 9.882 1.00 0.00 H new ATOM 441 N ALA A 32 -3.313 0.391 11.077 1.00 0.00 N ATOM 442 CA ALA A 32 -2.275 0.252 12.086 1.00 0.00 C ATOM 443 C ALA A 32 -1.330 1.445 12.066 1.00 0.00 C ATOM 444 O ALA A 32 -0.948 1.960 13.117 1.00 0.00 O ATOM 445 CB ALA A 32 -1.505 -1.044 11.879 1.00 0.00 C ATOM 0 H ALA A 32 -3.232 -0.258 10.294 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.754 0.220 13.064 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.732 -1.134 12.642 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.189 -1.889 11.954 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.042 -1.039 10.892 1.00 0.00 H new ATOM 451 N ILE A 33 -0.954 1.883 10.870 1.00 0.00 N ATOM 452 CA ILE A 33 -0.051 3.022 10.741 1.00 0.00 C ATOM 453 C ILE A 33 -0.694 4.295 11.273 1.00 0.00 C ATOM 454 O ILE A 33 -0.041 5.096 11.942 1.00 0.00 O ATOM 455 CB ILE A 33 0.398 3.273 9.288 1.00 0.00 C ATOM 456 CG1 ILE A 33 0.629 1.953 8.549 1.00 0.00 C ATOM 457 CG2 ILE A 33 1.661 4.122 9.280 1.00 0.00 C ATOM 458 CD1 ILE A 33 1.204 2.123 7.158 1.00 0.00 C ATOM 0 H ILE A 33 -1.255 1.473 9.986 1.00 0.00 H new ATOM 0 HA ILE A 33 0.828 2.766 11.333 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.394 3.810 8.766 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.304 1.331 9.137 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.317 1.417 8.478 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.975 4.297 8.251 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.461 5.077 9.766 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.453 3.601 9.817 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.339 1.144 6.698 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.520 2.717 6.552 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.167 2.630 7.222 1.00 0.00 H new ATOM 470 N ILE A 34 -1.975 4.482 10.973 1.00 0.00 N ATOM 471 CA ILE A 34 -2.684 5.668 11.432 1.00 0.00 C ATOM 472 C ILE A 34 -2.804 5.672 12.949 1.00 0.00 C ATOM 473 O ILE A 34 -2.627 6.707 13.594 1.00 0.00 O ATOM 474 CB ILE A 34 -4.088 5.785 10.805 1.00 0.00 C ATOM 475 CG1 ILE A 34 -4.914 4.535 11.100 1.00 0.00 C ATOM 476 CG2 ILE A 34 -3.979 6.011 9.305 1.00 0.00 C ATOM 477 CD1 ILE A 34 -6.344 4.629 10.613 1.00 0.00 C ATOM 0 H ILE A 34 -2.537 3.835 10.420 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.097 6.528 11.111 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.595 6.642 11.249 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.435 3.674 10.633 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.915 4.355 12.175 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.978 6.092 8.876 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.427 6.931 9.115 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.454 5.172 8.848 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.872 3.707 10.856 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.839 5.470 11.099 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.352 4.778 9.533 1.00 0.00 H new ATOM 489 N LYS A 35 -3.086 4.505 13.517 1.00 0.00 N ATOM 490 CA LYS A 35 -3.209 4.379 14.962 1.00 0.00 C ATOM 491 C LYS A 35 -1.855 4.615 15.614 1.00 0.00 C ATOM 492 O LYS A 35 -1.754 5.271 16.653 1.00 0.00 O ATOM 493 CB LYS A 35 -3.747 2.996 15.339 1.00 0.00 C ATOM 494 CG LYS A 35 -5.088 3.041 16.056 1.00 0.00 C ATOM 495 CD LYS A 35 -4.921 2.887 17.558 1.00 0.00 C ATOM 496 CE LYS A 35 -5.141 1.448 17.998 1.00 0.00 C ATOM 497 NZ LYS A 35 -6.556 1.023 17.819 1.00 0.00 N ATOM 0 H LYS A 35 -3.233 3.637 13.001 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.914 5.128 15.322 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.847 2.395 14.435 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.020 2.493 15.977 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.586 3.986 15.839 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.731 2.247 15.677 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.921 3.209 17.849 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.628 3.538 18.072 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.489 0.789 17.425 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.860 1.342 19.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.773 0.250 18.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.187 1.828 18.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.699 0.693 16.843 1.00 0.00 H new ATOM 511 N GLY A 36 -0.813 4.092 14.982 1.00 0.00 N ATOM 512 CA GLY A 36 0.527 4.268 15.495 1.00 0.00 C ATOM 513 C GLY A 36 0.934 5.726 15.494 1.00 0.00 C ATOM 514 O GLY A 36 1.403 6.250 16.504 1.00 0.00 O ATOM 0 H GLY A 36 -0.874 3.548 14.121 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.584 3.874 16.510 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.228 3.693 14.890 1.00 0.00 H new ATOM 518 N LEU A 37 0.737 6.387 14.357 1.00 0.00 N ATOM 519 CA LEU A 37 1.074 7.800 14.224 1.00 0.00 C ATOM 520 C LEU A 37 0.375 8.620 15.303 1.00 0.00 C ATOM 521 O LEU A 37 0.939 9.577 15.834 1.00 0.00 O ATOM 522 CB LEU A 37 0.673 8.316 12.838 1.00 0.00 C ATOM 523 CG LEU A 37 1.816 8.433 11.826 1.00 0.00 C ATOM 524 CD1 LEU A 37 2.997 9.179 12.430 1.00 0.00 C ATOM 525 CD2 LEU A 37 2.242 7.054 11.344 1.00 0.00 C ATOM 0 H LEU A 37 0.346 5.966 13.514 1.00 0.00 H new ATOM 0 HA LEU A 37 2.152 7.907 14.344 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.087 7.651 12.427 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.211 9.296 12.953 1.00 0.00 H new ATOM 0 HG LEU A 37 1.458 9.003 10.969 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.797 9.250 11.694 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.683 10.181 12.723 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.358 8.641 13.307 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.055 7.155 10.625 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.580 6.460 12.193 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.396 6.558 10.868 1.00 0.00 H new ATOM 537 N ALA A 38 -0.855 8.238 15.625 1.00 0.00 N ATOM 538 CA ALA A 38 -1.627 8.938 16.643 1.00 0.00 C ATOM 539 C ALA A 38 -1.076 8.668 18.041 1.00 0.00 C ATOM 540 O ALA A 38 -1.350 9.417 18.978 1.00 0.00 O ATOM 541 CB ALA A 38 -3.091 8.537 16.563 1.00 0.00 C ATOM 0 H ALA A 38 -1.338 7.449 15.196 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.543 10.008 16.452 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.656 9.068 17.329 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.485 8.793 15.579 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.183 7.463 16.723 1.00 0.00 H new ATOM 547 N ARG A 39 -0.304 7.593 18.180 1.00 0.00 N ATOM 548 CA ARG A 39 0.273 7.233 19.472 1.00 0.00 C ATOM 549 C ARG A 39 1.789 7.060 19.381 1.00 0.00 C ATOM 550 O ARG A 39 2.387 6.341 20.182 1.00 0.00 O ATOM 551 CB ARG A 39 -0.367 5.948 19.998 1.00 0.00 C ATOM 552 CG ARG A 39 -1.877 5.904 19.825 1.00 0.00 C ATOM 553 CD ARG A 39 -2.543 5.110 20.936 1.00 0.00 C ATOM 554 NE ARG A 39 -3.912 5.555 21.180 1.00 0.00 N ATOM 555 CZ ARG A 39 -4.828 4.826 21.815 1.00 0.00 C ATOM 556 NH1 ARG A 39 -4.523 3.617 22.272 1.00 0.00 N ATOM 557 NH2 ARG A 39 -6.050 5.306 21.995 1.00 0.00 N ATOM 0 H ARG A 39 -0.065 6.959 17.418 1.00 0.00 H new ATOM 0 HA ARG A 39 0.068 8.049 20.165 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.074 5.095 19.482 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.128 5.840 21.056 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.273 6.920 19.815 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.121 5.457 18.861 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.547 4.052 20.674 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.961 5.209 21.852 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.183 6.479 20.844 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.584 3.243 22.137 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.228 3.063 22.758 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.290 6.234 21.647 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.751 4.747 22.481 1.00 0.00 H new ATOM 571 N PHE A 40 2.405 7.726 18.410 1.00 0.00 N ATOM 572 CA PHE A 40 3.852 7.648 18.229 1.00 0.00 C ATOM 573 C PHE A 40 4.352 8.797 17.362 1.00 0.00 C ATOM 574 O PHE A 40 4.399 8.688 16.136 1.00 0.00 O ATOM 575 CB PHE A 40 4.246 6.310 17.600 1.00 0.00 C ATOM 576 CG PHE A 40 4.304 5.175 18.584 1.00 0.00 C ATOM 577 CD1 PHE A 40 5.388 5.035 19.434 1.00 0.00 C ATOM 578 CD2 PHE A 40 3.275 4.251 18.656 1.00 0.00 C ATOM 579 CE1 PHE A 40 5.446 3.992 20.340 1.00 0.00 C ATOM 580 CE2 PHE A 40 3.327 3.205 19.561 1.00 0.00 C ATOM 581 CZ PHE A 40 4.413 3.077 20.403 1.00 0.00 C ATOM 0 H PHE A 40 1.927 8.325 17.737 1.00 0.00 H new ATOM 0 HA PHE A 40 4.317 7.725 19.212 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.531 6.063 16.815 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.220 6.416 17.122 1.00 0.00 H new ATOM 0 HD1 PHE A 40 6.197 5.749 19.389 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.423 4.348 17.999 1.00 0.00 H new ATOM 0 HE1 PHE A 40 6.297 3.893 20.997 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.519 2.490 19.608 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.455 2.262 21.111 1.00 0.00 H new ATOM 591 N THR A 41 4.723 9.898 18.005 1.00 0.00 N ATOM 592 CA THR A 41 5.220 11.069 17.293 1.00 0.00 C ATOM 593 C THR A 41 6.087 11.932 18.204 1.00 0.00 C ATOM 594 O THR A 41 5.671 13.003 18.644 1.00 0.00 O ATOM 595 CB THR A 41 4.050 11.890 16.749 1.00 0.00 C ATOM 596 OG1 THR A 41 3.007 11.967 17.704 1.00 0.00 O ATOM 597 CG2 THR A 41 3.463 11.324 15.474 1.00 0.00 C ATOM 0 H THR A 41 4.689 10.004 19.019 1.00 0.00 H new ATOM 0 HA THR A 41 5.834 10.727 16.460 1.00 0.00 H new ATOM 0 HB THR A 41 4.463 12.875 16.533 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.268 12.497 17.339 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.638 11.954 15.142 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.231 11.296 14.701 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.097 10.314 15.659 1.00 0.00 H new ATOM 605 N LYS A 42 7.296 11.456 18.485 1.00 0.00 N ATOM 606 CA LYS A 42 8.224 12.181 19.345 1.00 0.00 C ATOM 607 C LYS A 42 9.467 12.605 18.570 1.00 0.00 C ATOM 608 O LYS A 42 10.558 12.702 19.133 1.00 0.00 O ATOM 609 CB LYS A 42 8.625 11.314 20.539 1.00 0.00 C ATOM 610 CG LYS A 42 7.585 11.281 21.646 1.00 0.00 C ATOM 611 CD LYS A 42 7.957 12.207 22.794 1.00 0.00 C ATOM 612 CE LYS A 42 6.932 13.316 22.973 1.00 0.00 C ATOM 613 NZ LYS A 42 6.792 13.718 24.399 1.00 0.00 N ATOM 0 H LYS A 42 7.656 10.570 18.129 1.00 0.00 H new ATOM 0 HA LYS A 42 7.721 13.078 19.707 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.807 10.297 20.193 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.565 11.685 20.947 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.615 11.572 21.243 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.482 10.262 22.019 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.036 11.631 23.716 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.938 12.644 22.607 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.226 14.181 22.379 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.966 12.982 22.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.084 14.476 24.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.487 12.899 24.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.707 14.061 24.755 1.00 0.00 H new ATOM 627 N GLY A 43 9.296 12.858 17.277 1.00 0.00 N ATOM 628 CA GLY A 43 10.415 13.270 16.449 1.00 0.00 C ATOM 629 C GLY A 43 10.014 13.508 15.006 1.00 0.00 C ATOM 630 O GLY A 43 8.847 13.765 14.714 1.00 0.00 O ATOM 0 H GLY A 43 8.404 12.785 16.788 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.848 14.183 16.858 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.191 12.505 16.486 1.00 0.00 H new ATOM 634 N GLN A 44 10.985 13.422 14.103 1.00 0.00 N ATOM 635 CA GLN A 44 10.731 13.630 12.683 1.00 0.00 C ATOM 636 C GLN A 44 10.538 12.298 11.960 1.00 0.00 C ATOM 637 O GLN A 44 9.868 12.232 10.930 1.00 0.00 O ATOM 638 CB GLN A 44 11.882 14.409 12.045 1.00 0.00 C ATOM 639 CG GLN A 44 11.616 15.902 11.932 1.00 0.00 C ATOM 640 CD GLN A 44 11.549 16.586 13.283 1.00 0.00 C ATOM 641 OE1 GLN A 44 12.516 17.205 13.729 1.00 0.00 O ATOM 642 NE2 GLN A 44 10.400 16.481 13.943 1.00 0.00 N ATOM 0 H GLN A 44 11.956 13.209 14.330 1.00 0.00 H new ATOM 0 HA GLN A 44 9.813 14.209 12.587 1.00 0.00 H new ATOM 0 HB2 GLN A 44 12.786 14.253 12.634 1.00 0.00 H new ATOM 0 HB3 GLN A 44 12.075 14.006 11.051 1.00 0.00 H new ATOM 0 HG2 GLN A 44 12.402 16.363 11.334 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.677 16.061 11.401 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.624 15.958 13.536 1.00 0.00 H new ATOM 0 HE22 GLN A 44 10.294 16.923 14.856 1.00 0.00 H new ATOM 651 N GLN A 45 11.128 11.240 12.509 1.00 0.00 N ATOM 652 CA GLN A 45 11.020 9.912 11.915 1.00 0.00 C ATOM 653 C GLN A 45 9.883 9.121 12.557 1.00 0.00 C ATOM 654 O GLN A 45 10.026 7.934 12.848 1.00 0.00 O ATOM 655 CB GLN A 45 12.339 9.153 12.070 1.00 0.00 C ATOM 656 CG GLN A 45 12.723 8.343 10.843 1.00 0.00 C ATOM 657 CD GLN A 45 13.690 7.221 11.166 1.00 0.00 C ATOM 658 OE1 GLN A 45 14.701 7.049 10.320 1.00 0.00 O flip ATOM 659 NE2 GLN A 45 13.532 6.516 12.163 1.00 0.00 N flip ATOM 0 H GLN A 45 11.685 11.277 13.363 1.00 0.00 H new ATOM 0 HA GLN A 45 10.801 10.031 10.854 1.00 0.00 H new ATOM 0 HB2 GLN A 45 13.135 9.865 12.288 1.00 0.00 H new ATOM 0 HB3 GLN A 45 12.265 8.485 12.928 1.00 0.00 H new ATOM 0 HG2 GLN A 45 11.823 7.924 10.392 1.00 0.00 H new ATOM 0 HG3 GLN A 45 13.173 9.004 10.102 1.00 0.00 H new ATOM 0 HE21 GLN A 45 12.742 6.683 12.786 1.00 0.00 H new ATOM 0 HE22 GLN A 45 14.191 5.765 12.366 1.00 0.00 H new ATOM 668 N ARG A 46 8.755 9.788 12.776 1.00 0.00 N ATOM 669 CA ARG A 46 7.594 9.150 13.385 1.00 0.00 C ATOM 670 C ARG A 46 7.031 8.058 12.480 1.00 0.00 C ATOM 671 O ARG A 46 6.669 6.980 12.948 1.00 0.00 O ATOM 672 CB ARG A 46 6.512 10.192 13.679 1.00 0.00 C ATOM 673 CG ARG A 46 6.075 10.976 12.451 1.00 0.00 C ATOM 674 CD ARG A 46 5.658 12.392 12.813 1.00 0.00 C ATOM 675 NE ARG A 46 6.164 13.373 11.855 1.00 0.00 N ATOM 676 CZ ARG A 46 5.665 14.599 11.716 1.00 0.00 C ATOM 677 NH1 ARG A 46 4.649 15.000 12.470 1.00 0.00 N ATOM 678 NH2 ARG A 46 6.185 15.428 10.821 1.00 0.00 N ATOM 0 H ARG A 46 8.620 10.771 12.541 1.00 0.00 H new ATOM 0 HA ARG A 46 7.913 8.690 14.320 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.644 9.692 14.109 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.884 10.888 14.431 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.892 11.009 11.730 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.244 10.463 11.968 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.570 12.451 12.852 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.026 12.635 13.810 1.00 0.00 H new ATOM 0 HE ARG A 46 6.945 13.102 11.258 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.246 14.367 13.161 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.271 15.941 12.358 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.967 15.126 10.240 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.803 16.368 10.714 1.00 0.00 H new ATOM 692 N PHE A 47 6.958 8.347 11.185 1.00 0.00 N ATOM 693 CA PHE A 47 6.434 7.391 10.214 1.00 0.00 C ATOM 694 C PHE A 47 7.302 6.139 10.150 1.00 0.00 C ATOM 695 O PHE A 47 6.796 5.016 10.163 1.00 0.00 O ATOM 696 CB PHE A 47 6.355 8.032 8.827 1.00 0.00 C ATOM 697 CG PHE A 47 5.672 9.369 8.820 1.00 0.00 C ATOM 698 CD1 PHE A 47 4.295 9.456 8.689 1.00 0.00 C ATOM 699 CD2 PHE A 47 6.407 10.536 8.942 1.00 0.00 C ATOM 700 CE1 PHE A 47 3.664 10.686 8.680 1.00 0.00 C ATOM 701 CE2 PHE A 47 5.780 11.769 8.935 1.00 0.00 C ATOM 702 CZ PHE A 47 4.407 11.843 8.804 1.00 0.00 C ATOM 0 H PHE A 47 7.255 9.236 10.783 1.00 0.00 H new ATOM 0 HA PHE A 47 5.434 7.103 10.537 1.00 0.00 H new ATOM 0 HB2 PHE A 47 7.364 8.147 8.431 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.824 7.359 8.155 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.709 8.554 8.593 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.481 10.483 9.044 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.590 10.742 8.576 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.363 12.673 9.032 1.00 0.00 H new ATOM 0 HZ PHE A 47 3.915 12.805 8.799 1.00 0.00 H new ATOM 712 N GLN A 48 8.613 6.337 10.073 1.00 0.00 N ATOM 713 CA GLN A 48 9.547 5.220 10.000 1.00 0.00 C ATOM 714 C GLN A 48 9.610 4.470 11.328 1.00 0.00 C ATOM 715 O GLN A 48 9.556 3.241 11.360 1.00 0.00 O ATOM 716 CB GLN A 48 10.941 5.719 9.616 1.00 0.00 C ATOM 717 CG GLN A 48 11.736 4.725 8.786 1.00 0.00 C ATOM 718 CD GLN A 48 13.184 5.140 8.610 1.00 0.00 C ATOM 719 OE1 GLN A 48 14.101 4.414 8.994 1.00 0.00 O ATOM 720 NE2 GLN A 48 13.396 6.312 8.025 1.00 0.00 N ATOM 0 H GLN A 48 9.052 7.258 10.060 1.00 0.00 H new ATOM 0 HA GLN A 48 9.190 4.532 9.234 1.00 0.00 H new ATOM 0 HB2 GLN A 48 10.843 6.650 9.057 1.00 0.00 H new ATOM 0 HB3 GLN A 48 11.498 5.949 10.524 1.00 0.00 H new ATOM 0 HG2 GLN A 48 11.698 3.746 9.263 1.00 0.00 H new ATOM 0 HG3 GLN A 48 11.270 4.620 7.806 1.00 0.00 H new ATOM 0 HE21 GLN A 48 12.606 6.881 7.722 1.00 0.00 H new ATOM 0 HE22 GLN A 48 14.349 6.644 7.878 1.00 0.00 H new ATOM 729 N GLN A 49 9.726 5.217 12.422 1.00 0.00 N ATOM 730 CA GLN A 49 9.799 4.618 13.751 1.00 0.00 C ATOM 731 C GLN A 49 8.570 3.759 14.029 1.00 0.00 C ATOM 732 O GLN A 49 8.689 2.602 14.437 1.00 0.00 O ATOM 733 CB GLN A 49 9.924 5.707 14.819 1.00 0.00 C ATOM 734 CG GLN A 49 10.453 5.197 16.149 1.00 0.00 C ATOM 735 CD GLN A 49 10.094 6.105 17.308 1.00 0.00 C ATOM 736 OE1 GLN A 49 10.347 7.310 17.268 1.00 0.00 O ATOM 737 NE2 GLN A 49 9.500 5.533 18.348 1.00 0.00 N ATOM 0 H GLN A 49 9.771 6.236 12.415 1.00 0.00 H new ATOM 0 HA GLN A 49 10.682 3.981 13.786 1.00 0.00 H new ATOM 0 HB2 GLN A 49 10.586 6.491 14.451 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.947 6.163 14.977 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.053 4.200 16.336 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.537 5.100 16.091 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.309 4.531 18.339 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.234 6.095 19.156 1.00 0.00 H new ATOM 746 N ILE A 50 7.390 4.327 13.801 1.00 0.00 N ATOM 747 CA ILE A 50 6.144 3.605 14.024 1.00 0.00 C ATOM 748 C ILE A 50 6.072 2.371 13.134 1.00 0.00 C ATOM 749 O ILE A 50 5.591 1.317 13.553 1.00 0.00 O ATOM 750 CB ILE A 50 4.916 4.508 13.772 1.00 0.00 C ATOM 751 CG1 ILE A 50 3.650 3.864 14.346 1.00 0.00 C ATOM 752 CG2 ILE A 50 4.748 4.801 12.287 1.00 0.00 C ATOM 753 CD1 ILE A 50 3.142 2.679 13.549 1.00 0.00 C ATOM 0 H ILE A 50 7.271 5.282 13.463 1.00 0.00 H new ATOM 0 HA ILE A 50 6.129 3.292 15.068 1.00 0.00 H new ATOM 0 HB ILE A 50 5.082 5.457 14.283 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.851 3.542 15.368 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.864 4.617 14.398 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.876 5.438 12.138 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.637 5.309 11.914 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.610 3.865 11.745 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.244 2.281 14.021 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.907 2.997 12.533 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.909 1.905 13.518 1.00 0.00 H new ATOM 765 N TYR A 51 6.557 2.510 11.906 1.00 0.00 N ATOM 766 CA TYR A 51 6.556 1.408 10.951 1.00 0.00 C ATOM 767 C TYR A 51 7.376 0.237 11.481 1.00 0.00 C ATOM 768 O TYR A 51 6.988 -0.922 11.340 1.00 0.00 O ATOM 769 CB TYR A 51 7.114 1.874 9.603 1.00 0.00 C ATOM 770 CG TYR A 51 7.318 0.754 8.606 1.00 0.00 C ATOM 771 CD1 TYR A 51 6.266 -0.073 8.235 1.00 0.00 C ATOM 772 CD2 TYR A 51 8.565 0.522 8.039 1.00 0.00 C ATOM 773 CE1 TYR A 51 6.450 -1.099 7.327 1.00 0.00 C ATOM 774 CE2 TYR A 51 8.758 -0.500 7.130 1.00 0.00 C ATOM 775 CZ TYR A 51 7.697 -1.308 6.778 1.00 0.00 C ATOM 776 OH TYR A 51 7.884 -2.327 5.873 1.00 0.00 O ATOM 0 H TYR A 51 6.957 3.377 11.547 1.00 0.00 H new ATOM 0 HA TYR A 51 5.527 1.075 10.812 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.434 2.610 9.174 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.066 2.378 9.769 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.288 0.088 8.663 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.398 1.152 8.314 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.621 -1.733 7.049 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.734 -0.665 6.698 1.00 0.00 H new ATOM 0 HH TYR A 51 7.018 -2.728 5.649 1.00 0.00 H new ATOM 786 N TYR A 52 8.515 0.552 12.084 1.00 0.00 N ATOM 787 CA TYR A 52 9.401 -0.470 12.631 1.00 0.00 C ATOM 788 C TYR A 52 8.774 -1.159 13.836 1.00 0.00 C ATOM 789 O TYR A 52 8.975 -2.353 14.049 1.00 0.00 O ATOM 790 CB TYR A 52 10.744 0.147 13.022 1.00 0.00 C ATOM 791 CG TYR A 52 11.789 0.065 11.931 1.00 0.00 C ATOM 792 CD1 TYR A 52 12.131 -1.155 11.362 1.00 0.00 C ATOM 793 CD2 TYR A 52 12.434 1.208 11.473 1.00 0.00 C ATOM 794 CE1 TYR A 52 13.084 -1.235 10.365 1.00 0.00 C ATOM 795 CE2 TYR A 52 13.389 1.135 10.476 1.00 0.00 C ATOM 796 CZ TYR A 52 13.711 -0.087 9.926 1.00 0.00 C ATOM 797 OH TYR A 52 14.662 -0.163 8.934 1.00 0.00 O ATOM 0 H TYR A 52 8.848 1.508 12.207 1.00 0.00 H new ATOM 0 HA TYR A 52 9.563 -1.220 11.857 1.00 0.00 H new ATOM 0 HB2 TYR A 52 10.590 1.193 13.288 1.00 0.00 H new ATOM 0 HB3 TYR A 52 11.120 -0.357 13.912 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.644 -2.056 11.705 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.185 2.167 11.902 1.00 0.00 H new ATOM 0 HE1 TYR A 52 13.337 -2.191 9.931 1.00 0.00 H new ATOM 0 HE2 TYR A 52 13.881 2.032 10.130 1.00 0.00 H new ATOM 0 HH TYR A 52 15.005 0.734 8.740 1.00 0.00 H new ATOM 807 N ALA A 53 8.017 -0.407 14.626 1.00 0.00 N ATOM 808 CA ALA A 53 7.374 -0.969 15.806 1.00 0.00 C ATOM 809 C ALA A 53 6.243 -1.910 15.413 1.00 0.00 C ATOM 810 O ALA A 53 6.197 -3.060 15.847 1.00 0.00 O ATOM 811 CB ALA A 53 6.852 0.143 16.703 1.00 0.00 C ATOM 0 H ALA A 53 7.835 0.585 14.473 1.00 0.00 H new ATOM 0 HA ALA A 53 8.117 -1.544 16.358 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.374 -0.292 17.581 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.682 0.776 17.018 1.00 0.00 H new ATOM 0 HB3 ALA A 53 6.126 0.743 16.154 1.00 0.00 H new ATOM 817 N TYR A 54 5.337 -1.414 14.579 1.00 0.00 N ATOM 818 CA TYR A 54 4.209 -2.213 14.113 1.00 0.00 C ATOM 819 C TYR A 54 4.621 -3.166 12.985 1.00 0.00 C ATOM 820 O TYR A 54 3.786 -3.896 12.449 1.00 0.00 O ATOM 821 CB TYR A 54 3.049 -1.297 13.681 1.00 0.00 C ATOM 822 CG TYR A 54 2.895 -1.115 12.183 1.00 0.00 C ATOM 823 CD1 TYR A 54 2.167 -2.024 11.424 1.00 0.00 C ATOM 824 CD2 TYR A 54 3.469 -0.031 11.533 1.00 0.00 C ATOM 825 CE1 TYR A 54 2.017 -1.857 10.061 1.00 0.00 C ATOM 826 CE2 TYR A 54 3.324 0.142 10.170 1.00 0.00 C ATOM 827 CZ TYR A 54 2.597 -0.772 9.438 1.00 0.00 C ATOM 828 OH TYR A 54 2.452 -0.599 8.078 1.00 0.00 O ATOM 0 H TYR A 54 5.361 -0.463 14.211 1.00 0.00 H new ATOM 0 HA TYR A 54 3.866 -2.832 14.942 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.119 -1.702 14.079 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.191 -0.317 14.137 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.711 -2.875 11.908 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.038 0.689 12.102 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.448 -2.573 9.486 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.779 0.990 9.680 1.00 0.00 H new ATOM 0 HH TYR A 54 2.493 -1.470 7.631 1.00 0.00 H new ATOM 838 N ARG A 55 5.906 -3.162 12.625 1.00 0.00 N ATOM 839 CA ARG A 55 6.401 -4.027 11.559 1.00 0.00 C ATOM 840 C ARG A 55 6.020 -5.486 11.808 1.00 0.00 C ATOM 841 O ARG A 55 5.904 -6.275 10.870 1.00 0.00 O ATOM 842 CB ARG A 55 7.923 -3.897 11.431 1.00 0.00 C ATOM 843 CG ARG A 55 8.697 -4.596 12.538 1.00 0.00 C ATOM 844 CD ARG A 55 9.047 -6.026 12.160 1.00 0.00 C ATOM 845 NE ARG A 55 8.831 -6.955 13.267 1.00 0.00 N ATOM 846 CZ ARG A 55 8.733 -8.275 13.119 1.00 0.00 C ATOM 847 NH1 ARG A 55 8.831 -8.824 11.916 1.00 0.00 N ATOM 848 NH2 ARG A 55 8.537 -9.047 14.179 1.00 0.00 N ATOM 0 H ARG A 55 6.618 -2.571 13.055 1.00 0.00 H new ATOM 0 HA ARG A 55 5.935 -3.708 10.627 1.00 0.00 H new ATOM 0 HB2 ARG A 55 8.233 -4.307 10.470 1.00 0.00 H new ATOM 0 HB3 ARG A 55 8.188 -2.840 11.427 1.00 0.00 H new ATOM 0 HG2 ARG A 55 9.611 -4.041 12.750 1.00 0.00 H new ATOM 0 HG3 ARG A 55 8.105 -4.596 13.453 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.443 -6.333 11.306 1.00 0.00 H new ATOM 0 HD3 ARG A 55 10.090 -6.073 11.846 1.00 0.00 H new ATOM 0 HE ARG A 55 8.751 -6.570 14.208 1.00 0.00 H new ATOM 0 HH11 ARG A 55 8.982 -8.235 11.097 1.00 0.00 H new ATOM 0 HH12 ARG A 55 8.755 -9.836 11.809 1.00 0.00 H new ATOM 0 HH21 ARG A 55 8.461 -8.630 15.107 1.00 0.00 H new ATOM 0 HH22 ARG A 55 8.462 -10.058 14.067 1.00 0.00 H new ATOM 862 N SER A 56 5.817 -5.836 13.074 1.00 0.00 N ATOM 863 CA SER A 56 5.441 -7.200 13.437 1.00 0.00 C ATOM 864 C SER A 56 4.162 -7.618 12.716 1.00 0.00 C ATOM 865 O SER A 56 3.918 -8.806 12.501 1.00 0.00 O ATOM 866 CB SER A 56 5.248 -7.314 14.951 1.00 0.00 C ATOM 867 OG SER A 56 4.116 -6.577 15.379 1.00 0.00 O ATOM 0 H SER A 56 5.906 -5.197 13.864 1.00 0.00 H new ATOM 0 HA SER A 56 6.247 -7.868 13.131 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.129 -8.362 15.227 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.138 -6.948 15.463 1.00 0.00 H new ATOM 0 HG SER A 56 4.014 -6.668 16.349 1.00 0.00 H new ATOM 873 N VAL A 57 3.347 -6.633 12.346 1.00 0.00 N ATOM 874 CA VAL A 57 2.095 -6.896 11.649 1.00 0.00 C ATOM 875 C VAL A 57 2.335 -7.128 10.160 1.00 0.00 C ATOM 876 O VAL A 57 1.978 -8.176 9.620 1.00 0.00 O ATOM 877 CB VAL A 57 1.104 -5.730 11.821 1.00 0.00 C ATOM 878 CG1 VAL A 57 -0.234 -6.057 11.174 1.00 0.00 C ATOM 879 CG2 VAL A 57 0.923 -5.396 13.293 1.00 0.00 C ATOM 0 H VAL A 57 3.533 -5.645 12.518 1.00 0.00 H new ATOM 0 HA VAL A 57 1.668 -7.796 12.091 1.00 0.00 H new ATOM 0 HB VAL A 57 1.517 -4.855 11.319 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.918 -5.219 11.308 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.088 -6.239 10.109 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.656 -6.947 11.640 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.219 -4.570 13.395 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.536 -6.269 13.819 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.883 -5.110 13.722 1.00 0.00 H new ATOM 889 N TRP A 58 2.941 -6.145 9.502 1.00 0.00 N ATOM 890 CA TRP A 58 3.226 -6.242 8.075 1.00 0.00 C ATOM 891 C TRP A 58 4.089 -7.465 7.772 1.00 0.00 C ATOM 892 O TRP A 58 4.252 -8.346 8.615 1.00 0.00 O ATOM 893 CB TRP A 58 3.927 -4.971 7.589 1.00 0.00 C ATOM 894 CG TRP A 58 3.260 -4.329 6.409 1.00 0.00 C ATOM 895 CD1 TRP A 58 3.248 -3.000 6.104 1.00 0.00 C ATOM 896 CD2 TRP A 58 2.510 -4.983 5.377 1.00 0.00 C ATOM 897 NE1 TRP A 58 2.543 -2.786 4.945 1.00 0.00 N ATOM 898 CE2 TRP A 58 2.079 -3.989 4.480 1.00 0.00 C ATOM 899 CE3 TRP A 58 2.162 -6.313 5.121 1.00 0.00 C ATOM 900 CZ2 TRP A 58 1.320 -4.282 3.349 1.00 0.00 C ATOM 901 CZ3 TRP A 58 1.408 -6.603 4.000 1.00 0.00 C ATOM 902 CH2 TRP A 58 0.995 -5.592 3.125 1.00 0.00 C ATOM 0 H TRP A 58 3.244 -5.272 9.934 1.00 0.00 H new ATOM 0 HA TRP A 58 2.279 -6.352 7.546 1.00 0.00 H new ATOM 0 HB2 TRP A 58 3.967 -4.253 8.408 1.00 0.00 H new ATOM 0 HB3 TRP A 58 4.957 -5.212 7.326 1.00 0.00 H new ATOM 0 HD1 TRP A 58 3.724 -2.227 6.689 1.00 0.00 H new ATOM 0 HE1 TRP A 58 2.390 -1.880 4.503 1.00 0.00 H new ATOM 0 HE3 TRP A 58 2.478 -7.101 5.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 1.000 -3.503 2.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.133 -7.627 3.796 1.00 0.00 H new ATOM 0 HH2 TRP A 58 0.408 -5.851 2.256 1.00 0.00 H new ATOM 913 N HIS A 59 4.638 -7.511 6.560 1.00 0.00 N ATOM 914 CA HIS A 59 5.483 -8.627 6.147 1.00 0.00 C ATOM 915 C HIS A 59 6.955 -8.212 6.065 1.00 0.00 C ATOM 916 O HIS A 59 7.777 -8.682 6.854 1.00 0.00 O ATOM 917 CB HIS A 59 5.013 -9.181 4.799 1.00 0.00 C ATOM 918 CG HIS A 59 4.306 -10.496 4.907 1.00 0.00 C ATOM 919 ND1 HIS A 59 4.627 -11.449 5.853 1.00 0.00 N ATOM 920 CD2 HIS A 59 3.288 -11.018 4.181 1.00 0.00 C ATOM 921 CE1 HIS A 59 3.838 -12.498 5.703 1.00 0.00 C ATOM 922 NE2 HIS A 59 3.017 -12.262 4.698 1.00 0.00 N ATOM 0 H HIS A 59 4.513 -6.790 5.849 1.00 0.00 H new ATOM 0 HA HIS A 59 5.396 -9.408 6.902 1.00 0.00 H new ATOM 0 HB2 HIS A 59 4.347 -8.457 4.330 1.00 0.00 H new ATOM 0 HB3 HIS A 59 5.875 -9.294 4.141 1.00 0.00 H new ATOM 0 HD2 HIS A 59 2.784 -10.545 3.351 1.00 0.00 H new ATOM 0 HE1 HIS A 59 3.861 -13.396 6.302 1.00 0.00 H new ATOM 0 HE2 HIS A 59 2.297 -12.900 4.359 1.00 0.00 H new ATOM 931 N PRO A 60 7.317 -7.329 5.113 1.00 0.00 N ATOM 932 CA PRO A 60 8.702 -6.874 4.956 1.00 0.00 C ATOM 933 C PRO A 60 9.129 -5.916 6.062 1.00 0.00 C ATOM 934 O PRO A 60 8.344 -5.591 6.952 1.00 0.00 O ATOM 935 CB PRO A 60 8.688 -6.159 3.604 1.00 0.00 C ATOM 936 CG PRO A 60 7.287 -5.682 3.445 1.00 0.00 C ATOM 937 CD PRO A 60 6.417 -6.709 4.119 1.00 0.00 C ATOM 0 HA PRO A 60 9.411 -7.700 5.010 1.00 0.00 H new ATOM 0 HB2 PRO A 60 9.394 -5.328 3.588 1.00 0.00 H new ATOM 0 HB3 PRO A 60 8.971 -6.834 2.796 1.00 0.00 H new ATOM 0 HG2 PRO A 60 7.155 -4.701 3.901 1.00 0.00 H new ATOM 0 HG3 PRO A 60 7.027 -5.582 2.391 1.00 0.00 H new ATOM 0 HD2 PRO A 60 5.550 -6.250 4.594 1.00 0.00 H new ATOM 0 HD3 PRO A 60 6.039 -7.443 3.408 1.00 0.00 H new ATOM 945 N ALA A 61 10.380 -5.469 6.001 1.00 0.00 N ATOM 946 CA ALA A 61 10.911 -4.549 7.000 1.00 0.00 C ATOM 947 C ALA A 61 11.916 -3.583 6.379 1.00 0.00 C ATOM 948 O ALA A 61 12.973 -3.315 6.951 1.00 0.00 O ATOM 949 CB ALA A 61 11.556 -5.325 8.138 1.00 0.00 C ATOM 0 H ALA A 61 11.044 -5.729 5.271 1.00 0.00 H new ATOM 0 HA ALA A 61 10.082 -3.963 7.397 1.00 0.00 H new ATOM 0 HB1 ALA A 61 11.949 -4.627 8.878 1.00 0.00 H new ATOM 0 HB2 ALA A 61 10.812 -5.970 8.606 1.00 0.00 H new ATOM 0 HB3 ALA A 61 12.370 -5.935 7.747 1.00 0.00 H new ATOM 955 N ARG A 62 11.576 -3.057 5.205 1.00 0.00 N ATOM 956 CA ARG A 62 12.446 -2.118 4.506 1.00 0.00 C ATOM 957 C ARG A 62 11.692 -1.426 3.374 1.00 0.00 C ATOM 958 O ARG A 62 12.240 -1.206 2.293 1.00 0.00 O ATOM 959 CB ARG A 62 13.676 -2.843 3.956 1.00 0.00 C ATOM 960 CG ARG A 62 14.992 -2.184 4.338 1.00 0.00 C ATOM 961 CD ARG A 62 16.030 -3.211 4.759 1.00 0.00 C ATOM 962 NE ARG A 62 17.376 -2.643 4.808 1.00 0.00 N ATOM 963 CZ ARG A 62 18.394 -3.203 5.457 1.00 0.00 C ATOM 964 NH1 ARG A 62 18.223 -4.342 6.117 1.00 0.00 N ATOM 965 NH2 ARG A 62 19.586 -2.623 5.447 1.00 0.00 N ATOM 0 H ARG A 62 10.704 -3.266 4.719 1.00 0.00 H new ATOM 0 HA ARG A 62 12.774 -1.359 5.217 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.675 -3.871 4.320 1.00 0.00 H new ATOM 0 HB3 ARG A 62 13.604 -2.889 2.869 1.00 0.00 H new ATOM 0 HG2 ARG A 62 15.370 -1.609 3.493 1.00 0.00 H new ATOM 0 HG3 ARG A 62 14.824 -1.480 5.153 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.769 -3.609 5.740 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.015 -4.048 4.061 1.00 0.00 H new ATOM 0 HE ARG A 62 17.545 -1.766 4.316 1.00 0.00 H new ATOM 0 HH11 ARG A 62 17.308 -4.792 6.128 1.00 0.00 H new ATOM 0 HH12 ARG A 62 19.007 -4.767 6.613 1.00 0.00 H new ATOM 0 HH21 ARG A 62 19.723 -1.747 4.942 1.00 0.00 H new ATOM 0 HH22 ARG A 62 20.366 -3.052 5.944 1.00 0.00 H new ATOM 979 N THR A 63 10.433 -1.088 3.631 1.00 0.00 N ATOM 980 CA THR A 63 9.599 -0.423 2.636 1.00 0.00 C ATOM 981 C THR A 63 9.012 0.870 3.193 1.00 0.00 C ATOM 982 O THR A 63 7.821 1.140 3.041 1.00 0.00 O ATOM 983 CB THR A 63 8.484 -1.364 2.171 1.00 0.00 C ATOM 984 OG1 THR A 63 7.881 -0.877 0.986 1.00 0.00 O ATOM 985 CG2 THR A 63 7.386 -1.560 3.199 1.00 0.00 C ATOM 0 H THR A 63 9.967 -1.264 4.521 1.00 0.00 H new ATOM 0 HA THR A 63 10.222 -0.166 1.779 1.00 0.00 H new ATOM 0 HB THR A 63 8.972 -2.324 2.004 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.122 -1.457 0.234 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.631 -2.238 2.801 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.811 -1.984 4.109 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.926 -0.599 3.427 1.00 0.00 H new ATOM 993 N VAL A 64 9.860 1.671 3.835 1.00 0.00 N ATOM 994 CA VAL A 64 9.422 2.939 4.406 1.00 0.00 C ATOM 995 C VAL A 64 8.757 3.802 3.342 1.00 0.00 C ATOM 996 O VAL A 64 7.783 4.506 3.616 1.00 0.00 O ATOM 997 CB VAL A 64 10.598 3.711 5.038 1.00 0.00 C ATOM 998 CG1 VAL A 64 10.121 5.027 5.634 1.00 0.00 C ATOM 999 CG2 VAL A 64 11.282 2.858 6.094 1.00 0.00 C ATOM 0 H VAL A 64 10.849 1.464 3.972 1.00 0.00 H new ATOM 0 HA VAL A 64 8.700 2.711 5.190 1.00 0.00 H new ATOM 0 HB VAL A 64 11.322 3.938 4.256 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.967 5.555 6.074 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.678 5.642 4.851 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.376 4.829 6.405 1.00 0.00 H new ATOM 0 HG21 VAL A 64 12.110 3.415 6.532 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.565 2.601 6.874 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.662 1.945 5.635 1.00 0.00 H new ATOM 1009 N SER A 65 9.274 3.725 2.119 1.00 0.00 N ATOM 1010 CA SER A 65 8.710 4.483 1.011 1.00 0.00 C ATOM 1011 C SER A 65 7.241 4.130 0.849 1.00 0.00 C ATOM 1012 O SER A 65 6.382 5.005 0.710 1.00 0.00 O ATOM 1013 CB SER A 65 9.470 4.187 -0.285 1.00 0.00 C ATOM 1014 OG SER A 65 10.870 4.273 -0.087 1.00 0.00 O ATOM 0 H SER A 65 10.078 3.148 1.873 1.00 0.00 H new ATOM 0 HA SER A 65 8.804 5.547 1.227 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.211 3.190 -0.643 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.165 4.892 -1.058 1.00 0.00 H new ATOM 0 HG SER A 65 11.332 4.078 -0.929 1.00 0.00 H new ATOM 1020 N GLN A 66 6.953 2.835 0.903 1.00 0.00 N ATOM 1021 CA GLN A 66 5.583 2.361 0.796 1.00 0.00 C ATOM 1022 C GLN A 66 4.752 2.947 1.929 1.00 0.00 C ATOM 1023 O GLN A 66 3.579 3.274 1.752 1.00 0.00 O ATOM 1024 CB GLN A 66 5.535 0.832 0.841 1.00 0.00 C ATOM 1025 CG GLN A 66 5.844 0.174 -0.492 1.00 0.00 C ATOM 1026 CD GLN A 66 4.691 0.277 -1.472 1.00 0.00 C ATOM 1027 OE1 GLN A 66 3.533 0.064 -1.112 1.00 0.00 O ATOM 1028 NE2 GLN A 66 5.004 0.603 -2.721 1.00 0.00 N ATOM 0 H GLN A 66 7.649 2.098 1.020 1.00 0.00 H new ATOM 0 HA GLN A 66 5.171 2.686 -0.159 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.247 0.476 1.586 1.00 0.00 H new ATOM 0 HB3 GLN A 66 4.545 0.518 1.171 1.00 0.00 H new ATOM 0 HG2 GLN A 66 6.729 0.639 -0.927 1.00 0.00 H new ATOM 0 HG3 GLN A 66 6.084 -0.876 -0.328 1.00 0.00 H new ATOM 0 HE21 GLN A 66 5.977 0.771 -2.976 1.00 0.00 H new ATOM 0 HE22 GLN A 66 4.271 0.686 -3.426 1.00 0.00 H new ATOM 1037 N LEU A 67 5.385 3.095 3.092 1.00 0.00 N ATOM 1038 CA LEU A 67 4.722 3.662 4.260 1.00 0.00 C ATOM 1039 C LEU A 67 4.150 5.025 3.926 1.00 0.00 C ATOM 1040 O LEU A 67 2.974 5.299 4.171 1.00 0.00 O ATOM 1041 CB LEU A 67 5.707 3.779 5.424 1.00 0.00 C ATOM 1042 CG LEU A 67 5.065 3.792 6.809 1.00 0.00 C ATOM 1043 CD1 LEU A 67 4.055 4.924 6.918 1.00 0.00 C ATOM 1044 CD2 LEU A 67 4.402 2.456 7.096 1.00 0.00 C ATOM 0 H LEU A 67 6.357 2.829 3.248 1.00 0.00 H new ATOM 0 HA LEU A 67 3.908 3.000 4.554 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.409 2.947 5.372 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.287 4.693 5.300 1.00 0.00 H new ATOM 0 HG LEU A 67 5.846 3.957 7.551 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.607 4.918 7.912 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.557 5.877 6.752 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.275 4.789 6.168 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.949 2.480 8.087 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.632 2.264 6.349 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.149 1.663 7.058 1.00 0.00 H new ATOM 1056 N TYR A 68 4.984 5.870 3.341 1.00 0.00 N ATOM 1057 CA TYR A 68 4.557 7.198 2.945 1.00 0.00 C ATOM 1058 C TYR A 68 3.467 7.090 1.888 1.00 0.00 C ATOM 1059 O TYR A 68 2.611 7.964 1.768 1.00 0.00 O ATOM 1060 CB TYR A 68 5.741 8.003 2.406 1.00 0.00 C ATOM 1061 CG TYR A 68 6.624 8.582 3.489 1.00 0.00 C ATOM 1062 CD1 TYR A 68 6.993 7.820 4.592 1.00 0.00 C ATOM 1063 CD2 TYR A 68 7.090 9.889 3.408 1.00 0.00 C ATOM 1064 CE1 TYR A 68 7.800 8.346 5.584 1.00 0.00 C ATOM 1065 CE2 TYR A 68 7.897 10.420 4.396 1.00 0.00 C ATOM 1066 CZ TYR A 68 8.249 9.646 5.480 1.00 0.00 C ATOM 1067 OH TYR A 68 9.054 10.171 6.466 1.00 0.00 O ATOM 0 H TYR A 68 5.959 5.658 3.131 1.00 0.00 H new ATOM 0 HA TYR A 68 4.160 7.717 3.817 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.343 7.361 1.763 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.364 8.815 1.784 1.00 0.00 H new ATOM 0 HD1 TYR A 68 6.644 6.801 4.675 1.00 0.00 H new ATOM 0 HD2 TYR A 68 6.817 10.499 2.560 1.00 0.00 H new ATOM 0 HE1 TYR A 68 8.077 7.742 6.436 1.00 0.00 H new ATOM 0 HE2 TYR A 68 8.250 11.438 4.319 1.00 0.00 H new ATOM 0 HH TYR A 68 8.519 10.339 7.270 1.00 0.00 H new ATOM 1077 N ASP A 69 3.508 6.003 1.119 1.00 0.00 N ATOM 1078 CA ASP A 69 2.526 5.772 0.067 1.00 0.00 C ATOM 1079 C ASP A 69 1.129 5.555 0.639 1.00 0.00 C ATOM 1080 O ASP A 69 0.168 6.184 0.195 1.00 0.00 O ATOM 1081 CB ASP A 69 2.936 4.571 -0.792 1.00 0.00 C ATOM 1082 CG ASP A 69 3.337 4.976 -2.196 1.00 0.00 C ATOM 1083 OD1 ASP A 69 2.443 5.074 -3.064 1.00 0.00 O ATOM 1084 OD2 ASP A 69 4.544 5.195 -2.429 1.00 0.00 O ATOM 0 H ASP A 69 4.212 5.270 1.207 1.00 0.00 H new ATOM 0 HA ASP A 69 2.497 6.665 -0.557 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.768 4.053 -0.314 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.108 3.864 -0.843 1.00 0.00 H new ATOM 1089 N HIS A 70 1.011 4.672 1.627 1.00 0.00 N ATOM 1090 CA HIS A 70 -0.295 4.412 2.236 1.00 0.00 C ATOM 1091 C HIS A 70 -0.689 5.567 3.142 1.00 0.00 C ATOM 1092 O HIS A 70 -1.869 5.883 3.291 1.00 0.00 O ATOM 1093 CB HIS A 70 -0.329 3.100 3.037 1.00 0.00 C ATOM 1094 CG HIS A 70 0.873 2.225 2.876 1.00 0.00 C ATOM 1095 ND1 HIS A 70 1.879 2.165 3.812 1.00 0.00 N ATOM 1096 CD2 HIS A 70 1.215 1.353 1.899 1.00 0.00 C ATOM 1097 CE1 HIS A 70 2.789 1.294 3.421 1.00 0.00 C ATOM 1098 NE2 HIS A 70 2.411 0.785 2.261 1.00 0.00 N ATOM 0 H HIS A 70 1.784 4.134 2.018 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.008 4.314 1.417 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.444 3.341 4.094 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -1.213 2.535 2.741 1.00 0.00 H new ATOM 0 HD1 HIS A 70 1.916 2.709 4.674 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.652 1.143 1.002 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.691 1.040 3.958 1.00 0.00 H new ATOM 1107 N TRP A 71 0.311 6.196 3.745 1.00 0.00 N ATOM 1108 CA TRP A 71 0.076 7.317 4.638 1.00 0.00 C ATOM 1109 C TRP A 71 -0.251 8.583 3.849 1.00 0.00 C ATOM 1110 O TRP A 71 -1.002 9.439 4.319 1.00 0.00 O ATOM 1111 CB TRP A 71 1.294 7.542 5.534 1.00 0.00 C ATOM 1112 CG TRP A 71 0.935 8.077 6.886 1.00 0.00 C ATOM 1113 CD1 TRP A 71 0.675 7.349 8.012 1.00 0.00 C ATOM 1114 CD2 TRP A 71 0.787 9.452 7.254 1.00 0.00 C ATOM 1115 NE1 TRP A 71 0.374 8.188 9.058 1.00 0.00 N ATOM 1116 CE2 TRP A 71 0.437 9.484 8.618 1.00 0.00 C ATOM 1117 CE3 TRP A 71 0.917 10.661 6.564 1.00 0.00 C ATOM 1118 CZ2 TRP A 71 0.217 10.677 9.302 1.00 0.00 C ATOM 1119 CZ3 TRP A 71 0.699 11.844 7.245 1.00 0.00 C ATOM 1120 CH2 TRP A 71 0.352 11.844 8.602 1.00 0.00 C ATOM 0 H TRP A 71 1.293 5.947 3.630 1.00 0.00 H new ATOM 0 HA TRP A 71 -0.782 7.081 5.267 1.00 0.00 H new ATOM 0 HB2 TRP A 71 1.830 6.600 5.653 1.00 0.00 H new ATOM 0 HB3 TRP A 71 1.976 8.237 5.044 1.00 0.00 H new ATOM 0 HD1 TRP A 71 0.702 6.271 8.072 1.00 0.00 H new ATOM 0 HE1 TRP A 71 0.142 7.894 10.007 1.00 0.00 H new ATOM 0 HE3 TRP A 71 1.183 10.670 5.517 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -0.051 10.680 10.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 0.798 12.784 6.722 1.00 0.00 H new ATOM 0 HH2 TRP A 71 0.188 12.785 9.106 1.00 0.00 H new ATOM 1131 N ARG A 72 0.306 8.693 2.644 1.00 0.00 N ATOM 1132 CA ARG A 72 0.055 9.854 1.798 1.00 0.00 C ATOM 1133 C ARG A 72 -1.330 9.766 1.170 1.00 0.00 C ATOM 1134 O ARG A 72 -2.035 10.768 1.047 1.00 0.00 O ATOM 1135 CB ARG A 72 1.120 9.965 0.706 1.00 0.00 C ATOM 1136 CG ARG A 72 0.933 11.166 -0.209 1.00 0.00 C ATOM 1137 CD ARG A 72 1.427 10.879 -1.619 1.00 0.00 C ATOM 1138 NE ARG A 72 2.450 11.832 -2.044 1.00 0.00 N ATOM 1139 CZ ARG A 72 3.713 11.801 -1.625 1.00 0.00 C ATOM 1140 NH1 ARG A 72 4.112 10.869 -0.767 1.00 0.00 N ATOM 1141 NH2 ARG A 72 4.578 12.704 -2.061 1.00 0.00 N ATOM 0 H ARG A 72 0.929 7.997 2.236 1.00 0.00 H new ATOM 0 HA ARG A 72 0.102 10.747 2.422 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.103 10.025 1.174 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.108 9.056 0.105 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.122 11.439 -0.241 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.471 12.022 0.198 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.832 9.868 -1.663 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.587 10.916 -2.312 1.00 0.00 H new ATOM 0 HE ARG A 72 2.180 12.564 -2.701 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.449 10.172 -0.426 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.081 10.850 -0.449 1.00 0.00 H new ATOM 0 HH21 ARG A 72 4.276 13.424 -2.718 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.546 12.680 -1.740 1.00 0.00 H new ATOM 1155 N GLY A 73 -1.714 8.556 0.779 1.00 0.00 N ATOM 1156 CA GLY A 73 -3.016 8.350 0.174 1.00 0.00 C ATOM 1157 C GLY A 73 -4.140 8.457 1.186 1.00 0.00 C ATOM 1158 O GLY A 73 -5.230 8.929 0.866 1.00 0.00 O ATOM 0 H GLY A 73 -1.146 7.714 0.870 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.169 9.086 -0.615 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.045 7.367 -0.296 1.00 0.00 H new ATOM 1162 N THR A 74 -3.869 8.022 2.412 1.00 0.00 N ATOM 1163 CA THR A 74 -4.862 8.074 3.478 1.00 0.00 C ATOM 1164 C THR A 74 -5.093 9.513 3.929 1.00 0.00 C ATOM 1165 O THR A 74 -6.230 9.929 4.149 1.00 0.00 O ATOM 1166 CB THR A 74 -4.414 7.218 4.665 1.00 0.00 C ATOM 1167 OG1 THR A 74 -3.028 7.382 4.906 1.00 0.00 O ATOM 1168 CG2 THR A 74 -4.676 5.741 4.470 1.00 0.00 C ATOM 0 H THR A 74 -2.970 7.630 2.692 1.00 0.00 H new ATOM 0 HA THR A 74 -5.800 7.677 3.090 1.00 0.00 H new ATOM 0 HB THR A 74 -5.005 7.566 5.512 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.543 6.598 4.574 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.335 5.192 5.348 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.745 5.576 4.331 1.00 0.00 H new ATOM 0 HG23 THR A 74 -4.138 5.389 3.590 1.00 0.00 H new ATOM 1176 N LEU A 75 -4.006 10.267 4.060 1.00 0.00 N ATOM 1177 CA LEU A 75 -4.093 11.661 4.481 1.00 0.00 C ATOM 1178 C LEU A 75 -4.240 12.594 3.279 1.00 0.00 C ATOM 1179 O LEU A 75 -4.150 13.815 3.418 1.00 0.00 O ATOM 1180 CB LEU A 75 -2.854 12.048 5.291 1.00 0.00 C ATOM 1181 CG LEU A 75 -3.047 13.231 6.244 1.00 0.00 C ATOM 1182 CD1 LEU A 75 -3.120 12.751 7.686 1.00 0.00 C ATOM 1183 CD2 LEU A 75 -1.925 14.244 6.074 1.00 0.00 C ATOM 0 H LEU A 75 -3.057 9.937 3.881 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.979 11.767 5.106 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.533 11.183 5.871 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.046 12.286 4.599 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.990 13.719 5.997 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.257 13.606 8.348 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.960 12.066 7.799 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.195 12.236 7.945 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.080 15.077 6.760 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.969 13.768 6.292 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.921 14.614 5.049 1.00 0.00 H new ATOM 1195 N ARG A 76 -4.469 12.018 2.100 1.00 0.00 N ATOM 1196 CA ARG A 76 -4.627 12.806 0.883 1.00 0.00 C ATOM 1197 C ARG A 76 -3.373 13.623 0.597 1.00 0.00 C ATOM 1198 O ARG A 76 -2.515 13.786 1.463 1.00 0.00 O ATOM 1199 CB ARG A 76 -5.838 13.732 1.004 1.00 0.00 C ATOM 1200 CG ARG A 76 -7.137 13.101 0.529 1.00 0.00 C ATOM 1201 CD ARG A 76 -7.155 12.931 -0.983 1.00 0.00 C ATOM 1202 NE ARG A 76 -8.442 12.436 -1.463 1.00 0.00 N ATOM 1203 CZ ARG A 76 -8.827 12.486 -2.736 1.00 0.00 C ATOM 1204 NH1 ARG A 76 -8.028 13.005 -3.659 1.00 0.00 N ATOM 1205 NH2 ARG A 76 -10.016 12.014 -3.087 1.00 0.00 N ATOM 0 H ARG A 76 -4.549 11.010 1.964 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.786 12.118 0.053 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -5.950 14.035 2.045 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.651 14.638 0.427 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -7.267 12.130 1.007 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -7.978 13.722 0.836 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -6.934 13.887 -1.458 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -6.367 12.239 -1.279 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.084 12.028 -0.783 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -7.112 13.369 -3.395 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -8.329 13.040 -4.633 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -10.634 11.613 -2.382 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.312 12.052 -4.062 1.00 0.00 H new ATOM 1219 N TYR A 77 -3.273 14.137 -0.625 1.00 0.00 N ATOM 1220 CA TYR A 77 -2.124 14.938 -1.028 1.00 0.00 C ATOM 1221 C TYR A 77 -1.983 16.172 -0.142 1.00 0.00 C ATOM 1222 O TYR A 77 -2.961 16.869 0.130 1.00 0.00 O ATOM 1223 CB TYR A 77 -2.257 15.359 -2.492 1.00 0.00 C ATOM 1224 CG TYR A 77 -1.595 14.405 -3.460 1.00 0.00 C ATOM 1225 CD1 TYR A 77 -2.298 13.334 -4.001 1.00 0.00 C ATOM 1226 CD2 TYR A 77 -0.267 14.572 -3.832 1.00 0.00 C ATOM 1227 CE1 TYR A 77 -1.696 12.460 -4.884 1.00 0.00 C ATOM 1228 CE2 TYR A 77 0.341 13.701 -4.716 1.00 0.00 C ATOM 1229 CZ TYR A 77 -0.377 12.647 -5.238 1.00 0.00 C ATOM 1230 OH TYR A 77 0.225 11.777 -6.119 1.00 0.00 O ATOM 0 H TYR A 77 -3.976 14.012 -1.354 1.00 0.00 H new ATOM 0 HA TYR A 77 -1.229 14.327 -0.913 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -3.315 15.442 -2.743 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -1.821 16.350 -2.617 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -3.332 13.184 -3.726 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.299 15.396 -3.424 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -2.256 11.633 -5.296 1.00 0.00 H new ATOM 0 HE2 TYR A 77 1.374 13.846 -4.996 1.00 0.00 H new ATOM 0 HH TYR A 77 1.155 12.050 -6.264 1.00 0.00 H new ATOM 1240 N LYS A 78 -0.760 16.435 0.305 1.00 0.00 N ATOM 1241 CA LYS A 78 -0.489 17.585 1.161 1.00 0.00 C ATOM 1242 C LYS A 78 -0.356 18.860 0.333 1.00 0.00 C ATOM 1243 O LYS A 78 0.527 18.970 -0.517 1.00 0.00 O ATOM 1244 CB LYS A 78 0.786 17.353 1.973 1.00 0.00 C ATOM 1245 CG LYS A 78 0.579 16.475 3.196 1.00 0.00 C ATOM 1246 CD LYS A 78 0.555 17.294 4.479 1.00 0.00 C ATOM 1247 CE LYS A 78 1.512 16.734 5.519 1.00 0.00 C ATOM 1248 NZ LYS A 78 0.806 15.903 6.532 1.00 0.00 N ATOM 0 H LYS A 78 0.060 15.868 0.089 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.329 17.704 1.845 1.00 0.00 H new ATOM 0 HB2 LYS A 78 1.537 16.894 1.330 1.00 0.00 H new ATOM 0 HB3 LYS A 78 1.184 18.316 2.291 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.358 15.927 3.096 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.377 15.734 3.252 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.822 18.327 4.257 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.457 17.307 4.884 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.275 16.133 5.024 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.027 17.555 6.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.280 16.000 7.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -0.181 16.221 6.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.824 14.906 6.237 1.00 0.00 H new ATOM 1262 N VAL A 79 -1.238 19.820 0.589 1.00 0.00 N ATOM 1263 CA VAL A 79 -1.220 21.087 -0.131 1.00 0.00 C ATOM 1264 C VAL A 79 -0.251 22.076 0.512 1.00 0.00 C ATOM 1265 O VAL A 79 0.216 23.011 -0.138 1.00 0.00 O ATOM 1266 CB VAL A 79 -2.621 21.723 -0.187 1.00 0.00 C ATOM 1267 CG1 VAL A 79 -3.526 20.943 -1.129 1.00 0.00 C ATOM 1268 CG2 VAL A 79 -3.229 21.799 1.205 1.00 0.00 C ATOM 0 H VAL A 79 -1.975 19.744 1.290 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.888 20.866 -1.145 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.523 22.738 -0.572 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.511 21.408 -1.155 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -3.097 20.946 -2.131 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.619 19.916 -0.777 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.219 22.251 1.145 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.313 20.795 1.621 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.591 22.405 1.848 1.00 0.00 H new ATOM 1278 N ILE A 80 0.045 21.867 1.792 1.00 0.00 N ATOM 1279 CA ILE A 80 0.956 22.743 2.520 1.00 0.00 C ATOM 1280 C ILE A 80 0.343 24.124 2.724 1.00 0.00 C ATOM 1281 O ILE A 80 -0.305 24.665 1.827 1.00 0.00 O ATOM 1282 CB ILE A 80 2.303 22.892 1.789 1.00 0.00 C ATOM 1283 CG1 ILE A 80 2.840 21.521 1.376 1.00 0.00 C ATOM 1284 CG2 ILE A 80 3.309 23.618 2.671 1.00 0.00 C ATOM 1285 CD1 ILE A 80 3.074 20.587 2.543 1.00 0.00 C ATOM 0 H ILE A 80 -0.333 21.098 2.346 1.00 0.00 H new ATOM 0 HA ILE A 80 1.131 22.279 3.490 1.00 0.00 H new ATOM 0 HB ILE A 80 2.145 23.485 0.888 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.136 21.057 0.685 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.777 21.655 0.835 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.256 23.715 2.139 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.928 24.609 2.918 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.465 23.051 3.589 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.455 19.634 2.176 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.801 21.030 3.224 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.135 20.423 3.072 1.00 0.00 H new ATOM 1297 N GLN A 81 0.550 24.689 3.909 1.00 0.00 N ATOM 1298 CA GLN A 81 0.015 26.008 4.230 1.00 0.00 C ATOM 1299 C GLN A 81 -1.508 26.016 4.129 1.00 0.00 C ATOM 1300 O GLN A 81 -2.117 27.057 3.880 1.00 0.00 O ATOM 1301 CB GLN A 81 0.605 27.061 3.291 1.00 0.00 C ATOM 1302 CG GLN A 81 0.873 28.397 3.967 1.00 0.00 C ATOM 1303 CD GLN A 81 1.041 29.530 2.974 1.00 0.00 C ATOM 1304 OE1 GLN A 81 0.532 30.631 3.177 1.00 0.00 O ATOM 1305 NE2 GLN A 81 1.760 29.264 1.889 1.00 0.00 N ATOM 0 H GLN A 81 1.084 24.255 4.662 1.00 0.00 H new ATOM 0 HA GLN A 81 0.295 26.248 5.256 1.00 0.00 H new ATOM 0 HB2 GLN A 81 1.537 26.681 2.873 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -0.079 27.216 2.457 1.00 0.00 H new ATOM 0 HG2 GLN A 81 0.050 28.630 4.642 1.00 0.00 H new ATOM 0 HG3 GLN A 81 1.773 28.317 4.577 1.00 0.00 H new ATOM 0 HE21 GLN A 81 2.165 28.337 1.760 1.00 0.00 H new ATOM 0 HE22 GLN A 81 1.907 29.987 1.185 1.00 0.00 H new ATOM 1314 N GLN A 82 -2.118 24.851 4.325 1.00 0.00 N ATOM 1315 CA GLN A 82 -3.569 24.724 4.257 1.00 0.00 C ATOM 1316 C GLN A 82 -3.997 23.280 4.510 1.00 0.00 C ATOM 1317 O GLN A 82 -3.196 22.452 4.942 1.00 0.00 O ATOM 1318 CB GLN A 82 -4.081 25.194 2.892 1.00 0.00 C ATOM 1319 CG GLN A 82 -4.919 26.459 2.961 1.00 0.00 C ATOM 1320 CD GLN A 82 -6.107 26.322 3.893 1.00 0.00 C ATOM 1321 OE1 GLN A 82 -6.854 25.346 3.826 1.00 0.00 O ATOM 1322 NE2 GLN A 82 -6.287 27.302 4.771 1.00 0.00 N ATOM 0 H GLN A 82 -1.629 23.980 4.532 1.00 0.00 H new ATOM 0 HA GLN A 82 -4.004 25.354 5.033 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.230 25.367 2.234 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -4.675 24.398 2.442 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -4.294 27.287 3.295 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -5.273 26.710 1.961 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -5.643 28.093 4.792 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.069 27.264 5.425 1.00 0.00 H new ATOM 1331 N GLN A 83 -5.265 22.987 4.237 1.00 0.00 N ATOM 1332 CA GLN A 83 -5.798 21.644 4.436 1.00 0.00 C ATOM 1333 C GLN A 83 -7.217 21.534 3.890 1.00 0.00 C ATOM 1334 O GLN A 83 -7.582 20.528 3.280 1.00 0.00 O ATOM 1335 CB GLN A 83 -5.779 21.277 5.922 1.00 0.00 C ATOM 1336 CG GLN A 83 -6.216 22.411 6.836 1.00 0.00 C ATOM 1337 CD GLN A 83 -7.359 22.017 7.751 1.00 0.00 C ATOM 1338 OE1 GLN A 83 -7.296 21.000 8.440 1.00 0.00 O ATOM 1339 NE2 GLN A 83 -8.413 22.824 7.763 1.00 0.00 N ATOM 0 H GLN A 83 -5.941 23.661 3.878 1.00 0.00 H new ATOM 0 HA GLN A 83 -5.164 20.946 3.890 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -6.432 20.419 6.084 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -4.771 20.967 6.198 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -5.367 22.733 7.439 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.519 23.265 6.230 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -8.424 23.658 7.175 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -9.212 22.610 8.360 1.00 0.00 H new ATOM 1348 N GLY A 84 -8.015 22.573 4.113 1.00 0.00 N ATOM 1349 CA GLY A 84 -9.387 22.571 3.636 1.00 0.00 C ATOM 1350 C GLY A 84 -9.739 23.834 2.877 1.00 0.00 C ATOM 1351 O GLY A 84 -9.653 24.937 3.419 1.00 0.00 O ATOM 0 H GLY A 84 -7.737 23.416 4.615 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.542 21.707 2.990 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.063 22.460 4.484 1.00 0.00 H new ATOM 1355 N TYR A 85 -10.135 23.675 1.619 1.00 0.00 N ATOM 1356 CA TYR A 85 -10.502 24.812 0.782 1.00 0.00 C ATOM 1357 C TYR A 85 -11.770 25.482 1.301 1.00 0.00 C ATOM 1358 O TYR A 85 -12.537 24.882 2.055 1.00 0.00 O ATOM 1359 CB TYR A 85 -10.704 24.363 -0.666 1.00 0.00 C ATOM 1360 CG TYR A 85 -10.161 25.338 -1.686 1.00 0.00 C ATOM 1361 CD1 TYR A 85 -8.805 25.635 -1.737 1.00 0.00 C ATOM 1362 CD2 TYR A 85 -11.004 25.962 -2.597 1.00 0.00 C ATOM 1363 CE1 TYR A 85 -8.305 26.526 -2.667 1.00 0.00 C ATOM 1364 CE2 TYR A 85 -10.511 26.855 -3.530 1.00 0.00 C ATOM 1365 CZ TYR A 85 -9.162 27.133 -3.561 1.00 0.00 C ATOM 1366 OH TYR A 85 -8.667 28.020 -4.489 1.00 0.00 O ATOM 0 H TYR A 85 -10.210 22.769 1.156 1.00 0.00 H new ATOM 0 HA TYR A 85 -9.688 25.536 0.819 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -10.221 23.396 -0.808 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -11.769 24.217 -0.847 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -8.131 25.162 -1.038 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -12.062 25.746 -2.576 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -7.248 26.746 -2.694 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -11.180 27.332 -4.231 1.00 0.00 H new ATOM 0 HH TYR A 85 -9.401 28.357 -5.043 1.00 0.00 H new ATOM 1376 N ARG A 86 -11.984 26.729 0.895 1.00 0.00 N ATOM 1377 CA ARG A 86 -13.158 27.479 1.320 1.00 0.00 C ATOM 1378 C ARG A 86 -14.312 27.286 0.341 1.00 0.00 C ATOM 1379 O ARG A 86 -14.101 27.154 -0.864 1.00 0.00 O ATOM 1380 CB ARG A 86 -12.823 28.968 1.442 1.00 0.00 C ATOM 1381 CG ARG A 86 -13.911 29.783 2.121 1.00 0.00 C ATOM 1382 CD ARG A 86 -13.832 31.250 1.730 1.00 0.00 C ATOM 1383 NE ARG A 86 -13.986 31.443 0.291 1.00 0.00 N ATOM 1384 CZ ARG A 86 -13.911 32.629 -0.311 1.00 0.00 C ATOM 1385 NH1 ARG A 86 -13.687 33.726 0.399 1.00 0.00 N ATOM 1386 NH2 ARG A 86 -14.063 32.715 -1.624 1.00 0.00 N ATOM 0 H ARG A 86 -11.359 27.241 0.272 1.00 0.00 H new ATOM 0 HA ARG A 86 -13.465 27.101 2.295 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -11.895 29.078 2.003 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -12.644 29.374 0.446 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -14.889 29.385 1.850 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.817 29.688 3.203 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -14.608 31.807 2.255 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -12.874 31.659 2.050 1.00 0.00 H new ATOM 0 HE ARG A 86 -14.161 30.621 -0.287 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -13.571 33.664 1.411 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -13.630 34.632 -0.066 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -14.237 31.873 -2.173 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -14.006 33.623 -2.086 1.00 0.00 H new ATOM 1400 N GLY A 87 -15.532 27.267 0.868 1.00 0.00 N ATOM 1401 CA GLY A 87 -16.701 27.088 0.026 1.00 0.00 C ATOM 1402 C GLY A 87 -16.918 28.253 -0.920 1.00 0.00 C ATOM 1403 O GLY A 87 -15.970 28.940 -1.299 1.00 0.00 O ATOM 0 H GLY A 87 -15.732 27.372 1.863 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -16.592 26.170 -0.552 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -17.583 26.966 0.655 1.00 0.00 H new ATOM 1407 N LYS A 88 -18.172 28.475 -1.303 1.00 0.00 N ATOM 1408 CA LYS A 88 -18.511 29.565 -2.211 1.00 0.00 C ATOM 1409 C LYS A 88 -19.897 30.121 -1.899 1.00 0.00 C ATOM 1410 O LYS A 88 -20.083 31.333 -1.800 1.00 0.00 O ATOM 1411 CB LYS A 88 -18.456 29.083 -3.662 1.00 0.00 C ATOM 1412 CG LYS A 88 -17.995 30.151 -4.640 1.00 0.00 C ATOM 1413 CD LYS A 88 -16.532 29.973 -5.012 1.00 0.00 C ATOM 1414 CE LYS A 88 -16.269 30.379 -6.454 1.00 0.00 C ATOM 1415 NZ LYS A 88 -16.121 29.195 -7.346 1.00 0.00 N ATOM 0 H LYS A 88 -18.969 27.915 -0.999 1.00 0.00 H new ATOM 0 HA LYS A 88 -17.780 30.362 -2.072 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -17.783 28.228 -3.727 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -19.445 28.734 -3.958 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -18.608 30.110 -5.540 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -18.142 31.137 -4.199 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -15.911 30.571 -4.346 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -16.243 28.932 -4.868 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -17.089 31.002 -6.811 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -15.364 30.985 -6.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -15.943 29.514 -8.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -15.323 28.613 -7.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -16.994 28.630 -7.321 1.00 0.00 H new ATOM 1429 N ASN A 89 -20.867 29.225 -1.746 1.00 0.00 N ATOM 1430 CA ASN A 89 -22.236 29.626 -1.446 1.00 0.00 C ATOM 1431 C ASN A 89 -22.572 29.360 0.019 1.00 0.00 C ATOM 1432 O ASN A 89 -21.976 28.492 0.655 1.00 0.00 O ATOM 1433 CB ASN A 89 -23.218 28.879 -2.353 1.00 0.00 C ATOM 1434 CG ASN A 89 -23.788 29.768 -3.442 1.00 0.00 C ATOM 1435 OD1 ASN A 89 -24.499 30.733 -3.164 1.00 0.00 O ATOM 1436 ND2 ASN A 89 -23.478 29.444 -4.692 1.00 0.00 N ATOM 0 H ASN A 89 -20.730 28.217 -1.825 1.00 0.00 H new ATOM 0 HA ASN A 89 -22.325 30.697 -1.631 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -22.712 28.028 -2.810 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -24.033 28.479 -1.750 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -23.833 30.004 -5.467 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -22.885 28.635 -4.877 1.00 0.00 H new ATOM 1443 N SER A 90 -23.532 30.114 0.545 1.00 0.00 N ATOM 1444 CA SER A 90 -23.948 29.961 1.936 1.00 0.00 C ATOM 1445 C SER A 90 -25.468 30.013 2.056 1.00 0.00 C ATOM 1446 O SER A 90 -26.076 29.175 2.721 1.00 0.00 O ATOM 1447 CB SER A 90 -23.318 31.053 2.802 1.00 0.00 C ATOM 1448 OG SER A 90 -23.765 30.961 4.144 1.00 0.00 O ATOM 0 H SER A 90 -24.036 30.836 0.031 1.00 0.00 H new ATOM 0 HA SER A 90 -23.606 28.988 2.287 1.00 0.00 H new ATOM 0 HB2 SER A 90 -22.232 30.965 2.770 1.00 0.00 H new ATOM 0 HB3 SER A 90 -23.571 32.033 2.398 1.00 0.00 H new ATOM 0 HG SER A 90 -23.347 31.669 4.677 1.00 0.00 H new ATOM 1454 N VAL A 91 -26.074 31.004 1.408 1.00 0.00 N ATOM 1455 CA VAL A 91 -27.522 31.166 1.443 1.00 0.00 C ATOM 1456 C VAL A 91 -28.223 29.968 0.811 1.00 0.00 C ATOM 1457 O VAL A 91 -27.627 29.233 0.022 1.00 0.00 O ATOM 1458 CB VAL A 91 -27.958 32.454 0.716 1.00 0.00 C ATOM 1459 CG1 VAL A 91 -27.556 32.407 -0.750 1.00 0.00 C ATOM 1460 CG2 VAL A 91 -29.458 32.667 0.858 1.00 0.00 C ATOM 0 H VAL A 91 -25.584 31.706 0.853 1.00 0.00 H new ATOM 0 HA VAL A 91 -27.811 31.237 2.492 1.00 0.00 H new ATOM 0 HB VAL A 91 -27.448 33.298 1.180 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -27.873 33.325 -1.244 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -26.473 32.309 -0.827 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -28.033 31.553 -1.231 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -29.747 33.581 0.338 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -29.989 31.820 0.424 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -29.715 32.753 1.914 1.00 0.00 H new ATOM 1470 N ALA A 92 -29.491 29.779 1.159 1.00 0.00 N ATOM 1471 CA ALA A 92 -30.274 28.671 0.625 1.00 0.00 C ATOM 1472 C ALA A 92 -29.671 27.329 1.024 1.00 0.00 C ATOM 1473 O ALA A 92 -28.549 27.267 1.528 1.00 0.00 O ATOM 1474 CB ALA A 92 -30.375 28.777 -0.890 1.00 0.00 C ATOM 0 H ALA A 92 -29.999 30.379 1.809 1.00 0.00 H new ATOM 0 HA ALA A 92 -31.276 28.730 1.050 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -30.962 27.943 -1.275 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -30.859 29.716 -1.158 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -29.376 28.748 -1.324 1.00 0.00 H new ATOM 1480 N ALA A 93 -30.422 26.256 0.796 1.00 0.00 N ATOM 1481 CA ALA A 93 -29.962 24.915 1.131 1.00 0.00 C ATOM 1482 C ALA A 93 -30.003 23.999 -0.087 1.00 0.00 C ATOM 1483 O ALA A 93 -31.055 23.805 -0.695 1.00 0.00 O ATOM 1484 CB ALA A 93 -30.805 24.336 2.257 1.00 0.00 C ATOM 0 H ALA A 93 -31.353 26.290 0.380 1.00 0.00 H new ATOM 0 HA ALA A 93 -28.927 24.985 1.464 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -30.451 23.334 2.498 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -30.721 24.972 3.138 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -31.848 24.287 1.943 1.00 0.00 H new ATOM 1490 N ARG A 94 -28.850 23.440 -0.439 1.00 0.00 N ATOM 1491 CA ARG A 94 -28.754 22.545 -1.587 1.00 0.00 C ATOM 1492 C ARG A 94 -27.476 21.712 -1.521 1.00 0.00 C ATOM 1493 O ARG A 94 -26.911 21.340 -2.551 1.00 0.00 O ATOM 1494 CB ARG A 94 -28.792 23.348 -2.889 1.00 0.00 C ATOM 1495 CG ARG A 94 -30.145 23.315 -3.584 1.00 0.00 C ATOM 1496 CD ARG A 94 -30.090 24.002 -4.939 1.00 0.00 C ATOM 1497 NE ARG A 94 -31.340 23.849 -5.680 1.00 0.00 N ATOM 1498 CZ ARG A 94 -31.691 24.619 -6.707 1.00 0.00 C ATOM 1499 NH1 ARG A 94 -30.892 25.596 -7.117 1.00 0.00 N ATOM 1500 NH2 ARG A 94 -32.845 24.411 -7.327 1.00 0.00 N ATOM 0 H ARG A 94 -27.970 23.591 0.054 1.00 0.00 H new ATOM 0 HA ARG A 94 -29.607 21.867 -1.563 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -28.527 24.384 -2.676 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -28.034 22.959 -3.569 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -30.465 22.281 -3.712 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -30.890 23.804 -2.956 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -29.878 25.062 -4.800 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -29.269 23.587 -5.523 1.00 0.00 H new ATOM 0 HE ARG A 94 -31.981 23.109 -5.393 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -30.003 25.760 -6.644 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -31.167 26.183 -7.905 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -33.463 23.661 -7.017 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -33.115 25.001 -8.114 1.00 0.00 H new ATOM 1514 N SER A 95 -27.025 21.422 -0.305 1.00 0.00 N ATOM 1515 CA SER A 95 -25.815 20.634 -0.107 1.00 0.00 C ATOM 1516 C SER A 95 -26.117 19.140 -0.200 1.00 0.00 C ATOM 1517 O SER A 95 -27.116 18.668 0.343 1.00 0.00 O ATOM 1518 CB SER A 95 -25.188 20.956 1.250 1.00 0.00 C ATOM 1519 OG SER A 95 -24.228 21.991 1.137 1.00 0.00 O ATOM 0 H SER A 95 -27.480 21.721 0.558 1.00 0.00 H new ATOM 0 HA SER A 95 -25.109 20.893 -0.896 1.00 0.00 H new ATOM 0 HB2 SER A 95 -25.967 21.254 1.952 1.00 0.00 H new ATOM 0 HB3 SER A 95 -24.716 20.062 1.657 1.00 0.00 H new ATOM 0 HG SER A 95 -23.844 22.178 2.019 1.00 0.00 H new ATOM 1525 N PRO A 96 -25.257 18.369 -0.891 1.00 0.00 N ATOM 1526 CA PRO A 96 -25.444 16.922 -1.048 1.00 0.00 C ATOM 1527 C PRO A 96 -25.619 16.215 0.291 1.00 0.00 C ATOM 1528 O PRO A 96 -24.647 15.968 1.006 1.00 0.00 O ATOM 1529 CB PRO A 96 -24.153 16.462 -1.730 1.00 0.00 C ATOM 1530 CG PRO A 96 -23.641 17.672 -2.429 1.00 0.00 C ATOM 1531 CD PRO A 96 -24.038 18.843 -1.573 1.00 0.00 C ATOM 0 HA PRO A 96 -26.345 16.689 -1.616 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -23.432 16.091 -1.002 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -24.344 15.650 -2.432 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -22.559 17.625 -2.549 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -24.069 17.756 -3.428 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -23.255 19.104 -0.861 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -24.233 19.732 -2.173 1.00 0.00 H new ATOM 1539 N GLU A 97 -26.864 15.889 0.628 1.00 0.00 N ATOM 1540 CA GLU A 97 -27.163 15.209 1.882 1.00 0.00 C ATOM 1541 C GLU A 97 -26.709 16.042 3.076 1.00 0.00 C ATOM 1542 O GLU A 97 -25.518 16.124 3.371 1.00 0.00 O ATOM 1543 CB GLU A 97 -26.487 13.836 1.914 1.00 0.00 C ATOM 1544 CG GLU A 97 -27.342 12.752 2.551 1.00 0.00 C ATOM 1545 CD GLU A 97 -26.518 11.592 3.075 1.00 0.00 C ATOM 1546 OE1 GLU A 97 -25.424 11.842 3.625 1.00 0.00 O ATOM 1547 OE2 GLU A 97 -26.966 10.434 2.936 1.00 0.00 O ATOM 0 H GLU A 97 -27.681 16.085 0.050 1.00 0.00 H new ATOM 0 HA GLU A 97 -28.243 15.077 1.947 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -26.238 13.539 0.895 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -25.548 13.915 2.462 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -27.918 13.183 3.370 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -28.059 12.382 1.818 1.00 0.00 H new ATOM 1554 N LYS A 98 -27.668 16.659 3.759 1.00 0.00 N ATOM 1555 CA LYS A 98 -27.368 17.486 4.922 1.00 0.00 C ATOM 1556 C LYS A 98 -28.038 16.930 6.174 1.00 0.00 C ATOM 1557 O LYS A 98 -27.366 16.477 7.102 1.00 0.00 O ATOM 1558 CB LYS A 98 -27.826 18.926 4.682 1.00 0.00 C ATOM 1559 CG LYS A 98 -27.010 19.959 5.439 1.00 0.00 C ATOM 1560 CD LYS A 98 -27.651 21.335 5.373 1.00 0.00 C ATOM 1561 CE LYS A 98 -28.743 21.491 6.418 1.00 0.00 C ATOM 1562 NZ LYS A 98 -28.917 22.911 6.833 1.00 0.00 N ATOM 0 H LYS A 98 -28.660 16.602 3.527 1.00 0.00 H new ATOM 0 HA LYS A 98 -26.289 17.475 5.074 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -27.771 19.143 3.615 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -28.873 19.018 4.972 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -26.910 19.653 6.480 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -26.004 20.005 5.023 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -26.889 22.100 5.524 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -28.071 21.495 4.380 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -29.684 21.112 6.019 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -28.499 20.885 7.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -29.671 22.974 7.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -28.027 23.266 7.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -29.175 23.485 6.005 1.00 0.00 H new ATOM 1576 N ALA A 99 -29.366 16.967 6.193 1.00 0.00 N ATOM 1577 CA ALA A 99 -30.128 16.467 7.332 1.00 0.00 C ATOM 1578 C ALA A 99 -31.626 16.513 7.051 1.00 0.00 C ATOM 1579 O ALA A 99 -32.335 15.525 7.249 1.00 0.00 O ATOM 1580 CB ALA A 99 -29.797 17.269 8.581 1.00 0.00 C ATOM 0 H ALA A 99 -29.937 17.338 5.433 1.00 0.00 H new ATOM 0 HA ALA A 99 -29.848 15.427 7.498 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -30.373 16.885 9.423 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -28.733 17.181 8.799 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -30.048 18.317 8.418 1.00 0.00 H new ATOM 1586 N SER A 100 -32.102 17.664 6.590 1.00 0.00 N ATOM 1587 CA SER A 100 -33.517 17.838 6.281 1.00 0.00 C ATOM 1588 C SER A 100 -34.375 17.620 7.523 1.00 0.00 C ATOM 1589 O SER A 100 -34.534 16.493 7.990 1.00 0.00 O ATOM 1590 CB SER A 100 -33.942 16.870 5.177 1.00 0.00 C ATOM 1591 OG SER A 100 -35.353 16.800 5.074 1.00 0.00 O ATOM 0 H SER A 100 -31.529 18.491 6.422 1.00 0.00 H new ATOM 0 HA SER A 100 -33.665 18.861 5.934 1.00 0.00 H new ATOM 0 HB2 SER A 100 -33.521 17.192 4.225 1.00 0.00 H new ATOM 0 HB3 SER A 100 -33.540 15.878 5.384 1.00 0.00 H new ATOM 0 HG SER A 100 -35.598 16.175 4.360 1.00 0.00 H new ATOM 1597 N ASN A 101 -34.925 18.708 8.054 1.00 0.00 N ATOM 1598 CA ASN A 101 -35.768 18.635 9.243 1.00 0.00 C ATOM 1599 C ASN A 101 -36.925 19.625 9.151 1.00 0.00 C ATOM 1600 O ASN A 101 -38.092 19.236 9.196 1.00 0.00 O ATOM 1601 CB ASN A 101 -34.940 18.914 10.498 1.00 0.00 C ATOM 1602 CG ASN A 101 -35.662 18.512 11.770 1.00 0.00 C ATOM 1603 OD1 ASN A 101 -35.962 19.348 12.619 1.00 0.00 O ATOM 1604 ND2 ASN A 101 -35.946 17.220 11.904 1.00 0.00 N ATOM 0 H ASN A 101 -34.802 19.649 7.681 1.00 0.00 H new ATOM 0 HA ASN A 101 -36.180 17.628 9.305 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -33.995 18.374 10.434 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -34.698 19.976 10.541 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -36.432 16.888 12.737 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -35.678 16.560 11.174 1.00 0.00 H new ATOM 1611 N MET A 102 -36.593 20.905 9.024 1.00 0.00 N ATOM 1612 CA MET A 102 -37.605 21.951 8.926 1.00 0.00 C ATOM 1613 C MET A 102 -37.556 22.631 7.561 1.00 0.00 C ATOM 1614 O MET A 102 -36.725 22.292 6.718 1.00 0.00 O ATOM 1615 CB MET A 102 -37.405 22.988 10.032 1.00 0.00 C ATOM 1616 CG MET A 102 -38.704 23.599 10.536 1.00 0.00 C ATOM 1617 SD MET A 102 -38.807 25.373 10.231 1.00 0.00 S ATOM 1618 CE MET A 102 -40.212 25.811 11.252 1.00 0.00 C ATOM 0 H MET A 102 -35.632 21.243 8.986 1.00 0.00 H new ATOM 0 HA MET A 102 -38.584 21.486 9.045 1.00 0.00 H new ATOM 0 HB2 MET A 102 -36.885 22.520 10.868 1.00 0.00 H new ATOM 0 HB3 MET A 102 -36.759 23.784 9.660 1.00 0.00 H new ATOM 0 HG2 MET A 102 -39.545 23.102 10.052 1.00 0.00 H new ATOM 0 HG3 MET A 102 -38.796 23.413 11.606 1.00 0.00 H new ATOM 0 HE1 MET A 102 -40.402 26.881 11.170 1.00 0.00 H new ATOM 0 HE2 MET A 102 -41.091 25.260 10.918 1.00 0.00 H new ATOM 0 HE3 MET A 102 -39.999 25.559 12.291 1.00 0.00 H new ATOM 1628 N GLU A 103 -38.450 23.594 7.352 1.00 0.00 N ATOM 1629 CA GLU A 103 -38.512 24.326 6.092 1.00 0.00 C ATOM 1630 C GLU A 103 -38.993 23.425 4.958 1.00 0.00 C ATOM 1631 O GLU A 103 -40.087 23.610 4.427 1.00 0.00 O ATOM 1632 CB GLU A 103 -37.143 24.918 5.745 1.00 0.00 C ATOM 1633 CG GLU A 103 -36.489 25.657 6.901 1.00 0.00 C ATOM 1634 CD GLU A 103 -34.978 25.693 6.788 1.00 0.00 C ATOM 1635 OE1 GLU A 103 -34.367 24.616 6.623 1.00 0.00 O ATOM 1636 OE2 GLU A 103 -34.402 26.800 6.867 1.00 0.00 O ATOM 0 H GLU A 103 -39.143 23.885 8.042 1.00 0.00 H new ATOM 0 HA GLU A 103 -39.228 25.139 6.214 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -36.482 24.116 5.417 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -37.255 25.602 4.904 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -36.871 26.677 6.938 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -36.768 25.177 7.839 1.00 0.00 H new ATOM 1643 N ASN A 104 -38.167 22.448 4.593 1.00 0.00 N ATOM 1644 CA ASN A 104 -38.510 21.520 3.523 1.00 0.00 C ATOM 1645 C ASN A 104 -38.878 20.151 4.087 1.00 0.00 C ATOM 1646 O ASN A 104 -38.006 19.357 4.434 1.00 0.00 O ATOM 1647 CB ASN A 104 -37.342 21.385 2.544 1.00 0.00 C ATOM 1648 CG ASN A 104 -37.795 21.400 1.096 1.00 0.00 C ATOM 1649 OD1 ASN A 104 -37.212 22.087 0.259 1.00 0.00 O ATOM 1650 ND2 ASN A 104 -38.843 20.641 0.797 1.00 0.00 N ATOM 0 H ASN A 104 -37.257 22.280 5.023 1.00 0.00 H new ATOM 0 HA ASN A 104 -39.375 21.918 2.993 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -36.637 22.200 2.710 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -36.809 20.456 2.745 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -39.195 20.612 -0.160 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -39.296 20.087 1.524 1.00 0.00 H new ATOM 1657 N ASN A 105 -40.177 19.884 4.176 1.00 0.00 N ATOM 1658 CA ASN A 105 -40.661 18.611 4.699 1.00 0.00 C ATOM 1659 C ASN A 105 -41.105 17.690 3.566 1.00 0.00 C ATOM 1660 O ASN A 105 -42.077 16.947 3.702 1.00 0.00 O ATOM 1661 CB ASN A 105 -41.822 18.842 5.669 1.00 0.00 C ATOM 1662 CG ASN A 105 -41.347 19.135 7.079 1.00 0.00 C ATOM 1663 OD1 ASN A 105 -40.855 20.225 7.367 1.00 0.00 O ATOM 1664 ND2 ASN A 105 -41.493 18.158 7.967 1.00 0.00 N ATOM 0 H ASN A 105 -40.913 20.531 3.893 1.00 0.00 H new ATOM 0 HA ASN A 105 -39.841 18.131 5.233 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -42.430 19.674 5.313 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -42.463 17.961 5.680 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -41.192 18.296 8.932 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -41.906 17.269 7.684 1.00 0.00 H new ATOM 1671 N GLU A 106 -40.387 17.747 2.449 1.00 0.00 N ATOM 1672 CA GLU A 106 -40.707 16.919 1.293 1.00 0.00 C ATOM 1673 C GLU A 106 -39.711 15.772 1.153 1.00 0.00 C ATOM 1674 O GLU A 106 -40.133 14.670 0.741 1.00 0.00 O ATOM 1675 CB GLU A 106 -40.708 17.765 0.018 1.00 0.00 C ATOM 1676 CG GLU A 106 -41.644 17.240 -1.059 1.00 0.00 C ATOM 1677 CD GLU A 106 -42.001 18.299 -2.087 1.00 0.00 C ATOM 1678 OE1 GLU A 106 -42.136 19.479 -1.700 1.00 0.00 O ATOM 1679 OE2 GLU A 106 -42.147 17.946 -3.276 1.00 0.00 O ATOM 1680 OXT GLU A 106 -38.520 15.984 1.457 1.00 0.00 O ATOM 0 H GLU A 106 -39.580 18.358 2.320 1.00 0.00 H new ATOM 0 HA GLU A 106 -41.701 16.498 1.443 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -40.994 18.786 0.270 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -39.695 17.807 -0.381 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -41.176 16.394 -1.562 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -42.557 16.869 -0.593 1.00 0.00 H new TER 1687 GLU A 106